SCHEMBL1446587

SCHEMBL1446587

Clc1c[c]ccc1Oc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
CYP19A1 P11511 4/20 0.44
HTT P42858 2/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.36
ALOX15 P16050 2/20 0.36
LTA4H P09960 2/20 0.36
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9685770 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TDP1LMNACYP19A1
SCHEMBL8129946 0.81 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TDP1LMNACYP19A1
SCHEMBL1446495 0.81 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TDP1LMNACYP19A1
SCHEMBL8123922 0.81 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2TDP1LMNACYP19A1
SCHEMBL231083 0.80 DPP4 (0.43) ALDH1A1TDP1LMNAMAPTKMT2A
SCHEMBL27258849 0.79 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TDP1LMNACYP19A1
SCHEMBL11477740 0.78 TDP1 (0.53) ALDH1A1SMN1; SMN2TDP1LMNACYP19A1
SCHEMBL1446091 0.78 MPO (0.39) CYP11B1CYP11B2KMT2A
SCHEMBL9686796 0.78 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TDP1LMNACYP19A1
SCHEMBL9686693 0.78 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TDP1LMNACYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492536-B1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-09 EP claimed
US-7998949-B2 Bicyclic heterocycles, drugs containing said compounds, use thereof, and method for production thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-16 US claimed
EP-2298305-A1 4-(N-Phenylamino)-quinazolines/quinolines as inhibitors of tyrosine kinases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-03-23 EP claimed
US-20100022505-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 US claimed
EP-1956010-A1 Bicyclical heterocycles, medicines containing these compounds, their application and method for their production Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-13 EP claimed
US-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 US claimed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US claimed
US-6924285-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2005-08-02 US claimed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
US-8343982-B2 Bicyclic heterocyclic compounds pharmaceutical compositions containing these compounds, their use and process for preparing the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-01-01 US disclosed
EP-1492536-B1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-09 EP disclosed
WO-2011099764-A2 NOVEL PYRIMIDINE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI HOLDINGS CO., LTD. (KR) 2011-08-18 WO disclosed
US-7998949-B2 Bicyclic heterocycles, drugs containing said compounds, use thereof, and method for production thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-16 US disclosed
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2011-03-31 US disclosed
EP-1956010-A1 Bicyclical heterocycles, medicines containing these compounds, their application and method for their production Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-13 EP disclosed
US-20060270672-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them HIMMELSBACH FRANK 2006-11-30 US disclosed
US-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 US disclosed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US disclosed
US-6924285-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2005-08-02 US disclosed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060270672-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD ALDH1A1 731/4885SMN1; SMN2 2655/4885TDP1 4559/4885
US-20100022505-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF RET, CYP11B2, CHUK ALDH1A1 1652/4885SMN1; SMN2 4691/4885TDP1 2247/4885
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME CYP11B2, CYP11B1, PKD1 ALDH1A1 683/4885SMN1; SMN2 2512/4885TDP1 4506/4885
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD ALDH1A1 731/4885SMN1; SMN2 2655/4885TDP1 4559/4885
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B1, AR, CYP11B2 ALDH1A1 1933/4885SMN1; SMN2 4567/4885TDP1 2026/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.