SCHEMBL4390601

SCHEMBL4390601

COc1ccc2nc(-c3ccc(Cl)c(Cl)c3)nc(N)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP1A1 P04798 1/20 0.54
CYP1B1 Q16678 1/20 0.54
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
BCHE P06276 4/20 0.43
ACHE P22303 4/20 0.43
CHRM1 P11229 1/20 0.43
MAP4K4 O95819 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
TEK Q02763 1/20 0.41
DPP4 P27487 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
Hydrochloric Acid SCHEMBL14110587 0.99 CYP1A2 (0.56) CYP1A2CYP1A1CYP1B1NPC1RAB9A
SCHEMBL3660679 0.78 CYP1A2 (0.53) CYP1A2CYP1A1CYP1B1SMN1; SMN2ADORA2A
SCHEMBL14529191 0.77 CYP1A1 (0.60) CYP1A2CYP1A1CYP1B1NPC1RAB9A
SCHEMBL8900322 0.77 HTT (0.58) CYP1A2BCHEACHECHRM1KDM4E
SCHEMBL11902826 0.77 CLK4 (0.53) CYP1A2CYP1A1CYP1B1APP
SCHEMBL6103710 0.76 TP53 (0.45) CYP1A2TP53SMN1; SMN2BCHEACHE
SCHEMBL14474404 0.75 ABCG2 (0.62) CYP1A2CYP1A1CYP1B1NPC1RAB9A
SCHEMBL11903355 0.74 NPC1 (0.51) CYP1A2CYP1A1CYP1B1NPC1RAB9A
SCHEMBL2950833 0.73 MAPT (0.52) CYP1A2CYP1A1CYP1B1SMN1; SMN2ADORA2A
SCHEMBL28890947 0.73 NPC1 (0.50) CYP1A2CYP1A1CYP1B1NPC1RAB9A

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-1521747-A4 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2006-10-11 EP claimed
EP-1521747-A2 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-04-13 EP claimed
WO-2004006846-A2 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-01-22 WO claimed
US-10266518-B2 Solid dosage formulations of substituted quinazoline receptor-type kinase modulators and methods of use thereof SYMPHONY EVOLUTION, INC. (US) 2019-04-23 US disclosed
US-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2018-05-03 US disclosed
US-9796704-B2 Substituted quinazolines as receptor-type kinase inhibitors SYMPHONY EVOLUTION, INC. (US) 2017-10-24 US disclosed
US-9359332-B2 Processes for the preparation of substituted quinazolines SYMPHONY EVOLUTION, INC. (US) 2016-06-07 US disclosed
US-20160129032-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2016-05-12 US disclosed
US-9163006-B2 2015-10-20 US disclosed
US-20140155418-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2014-06-05 US disclosed
US-8658654-B2 Receptor-type kinase modulators and methods of use SYMPHONY EVOLUTION, INC. (US) 2014-02-25 US disclosed
US-20090318373-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-12-24 US disclosed
US-7576074-B2 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-08-18 US disclosed
EP-1521747-A4 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2006-10-11 EP disclosed
US-20060069077-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2006-03-30 US disclosed
EP-1521747-A2 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-04-13 EP disclosed
WO-2004006846-A2 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-01-22 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 (6 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-20060069077-A1 Receptor-type kinase modulators and methods of use EGFR, EPHA2, ERBB4 CYP1A2 4004/4885CYP1A1 4011/4885CYP1B1 3594/4885
US-10266518-B2 Solid dosage formulations of substituted quinazoline receptor-type kinase modulators and methods of use thereof EGFR, ERBB4, ERBB3 CYP1A2 1826/4885CYP1A1 2211/4885CYP1B1 2310/4885
US-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 CYP1A2 4004/4885CYP1A1 4011/4885CYP1B1 3594/4885
US-20090318373-A1 Receptor-type kinase modulators and methods of use EGFR, EPHA2, ERBB4 CYP1A2 4004/4885CYP1A1 4011/4885CYP1B1 3594/4885
US-20160129032-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 CYP1A2 4004/4885CYP1A1 4011/4885CYP1B1 3594/4885
US-20140155418-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 CYP1A2 4004/4885CYP1A1 4011/4885CYP1B1 3594/4885

“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.