SCHEMBL3837501

SCHEMBL3837501

Clc1ccc2c(Br)c(Cl)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NT5E P21589 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HTT P42858 1/20 0.34
CYP2C19 P33261 2/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
IDO1 P14902 1/20 0.32
LMNA P02545 1/20 0.32
DHODH Q02127 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL25213658 0.83 BACE1 (0.37) CRHBPCRHR2NT5EESR1ESR2
SCHEMBL1133977 0.80 NT5E (0.34) NT5EESR1ESR2HTTCYP2C19
SCHEMBL11001297 0.80 LMNA (0.46) NT5ECYP2C19KDM4ELMNACYP1A2
SCHEMBL25083068 0.80 IMPDH2 (0.42) ESR1ESR2HTTCYP2C19BACE1
SCHEMBL14573271 0.80 KDM4E (0.42) NT5EESR1ESR2HTTCYP2C19
SCHEMBL1134024 0.76 CYP19A1 (0.40)
SCHEMBL3837662 0.75 ACHE (0.40) CRHBPCRHR2HTTCYP2C19BACE1
SCHEMBL2011498 0.75 CRHBP (0.39) CRHBPCRHR2CYP2C19KDM4ECYP3A4
SCHEMBL24166068 0.72 BACE1 (0.35) NT5EESR1ESR2HTTCYP2C19
SCHEMBL10746163 0.72 CYP2C19 (0.39) NT5EHTTCYP2C19BACE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573907-B Quinoline derivatives and their use for neurodegenerative diseases 默克专利有限公司 2020-09-08 CN disclosed
EP-3152192-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES Merck Patent GmbH (DE) 2017-04-12 EP disclosed
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
US-9399623-B2 Quinoline derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2016-07-26 US disclosed
US-9399623-B2 Quinoline derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2016-07-26 US disclosed
US-9399623-B2 Quinoline derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2016-07-26 US disclosed
WO-2015187905-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2015-12-10 WO disclosed
WO-2015187905-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2015-12-10 WO disclosed
US-7408065-B2 P2X7 receptor antagonists and their use ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-20080182874-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-07-31 US disclosed
US-20080058293-A1 Quinoline Derivates and Their Use in Therapy ASTRAZENECA AB (SE) 2008-03-06 US disclosed
EP-1824838-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2007-08-29 EP disclosed
US-20060293337-A1 P2x7 receptor antagonists and their use ASTRAZENECA AB (SE) 2006-12-28 US disclosed
WO-2006059945-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-08 WO disclosed
EP-1651610-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2006-05-03 EP disclosed
EP-1633717-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE AstraZeneca AB (SE) 2006-03-15 EP disclosed
WO-2005009968-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2005-02-03 WO disclosed
WO-2004106305-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2004-12-09 WO 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 (4 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-20080182874-A1 Novel Compounds REN, F12, GPR119 CRHBP 2868/4885CRHR2 1076/4885NT5E 2865/4885
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX7, P2RX3, P2RX1 CRHBP 3252/4885CRHR2 2998/4885NT5E 128/4885
US-20080058293-A1 Quinoline Derivates and Their Use in Therapy NQO2, RECQL, CHRM1 CRHBP 4223/4885CRHR2 2222/4885NT5E 1433/4885
US-20060293337-A1 P2x7 receptor antagonists and their use P2RX7, P2RX1, P2RX2 CRHBP 3217/4885CRHR2 752/4885NT5E 291/4885

“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.