SCHEMBL946697

SCHEMBL946697

O=[C]c1ccccc1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
LMNA P02545 3/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
TP53 P04637 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL31070227 0.80 GRIA1 (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6769901 0.80 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30102603 0.80 GRIA1 (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL973015 0.80 GRIA1 (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5337044 0.79 ADRA1A (0.43) KDM4EPOLBALOX15ALDH1A1MAPT
SCHEMBL2907732 0.79 BRD4 (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7022879 0.78 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5826054 0.78 GRIA1 (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL858806 0.78 KDM4E (0.72) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5339612 0.77 HTR2C (0.36)

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709049-B1 BICYCLIC IMIDAZOLE COMPOUNDS, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2010-08-18 EP claimed
US-7183280-B2 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-27 US claimed
US-20050143377-A1 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-30 US claimed
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US claimed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
EP-1709049-B1 BICYCLIC IMIDAZOLE COMPOUNDS, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2010-08-18 EP disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
CN-1330653-C 3-methylamide derivatives of 5H-pyrrolo [2,1,-C] [1,4]-benzodiazepines AMERICAN HOME PROD (US) 2007-08-08 CN disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
US-7183280-B2 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-27 US disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 WO disclosed
US-20050143377-A1 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-30 US disclosed
CN-1234801-A 3-carboxamide derivatives of 5H-pyrrolo [2, 1-C ] [1,4] -benzodiazepine * AMERICAN HOME PROD (US) 1999-11-10 CN 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 (3 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 KDM4E 1813/4885LMNA 3497/4885CCR1 1826/4885
US-20050143377-A1 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 KDM4E 901/4885LMNA 4189/4885CCR1 2273/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 KDM4E 1813/4885LMNA 3497/4885CCR1 1826/4885

“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.