SCHEMBL9912633

SCHEMBL9912633

O=C(c1ccccc1)c1ccc2ncc(Cl)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
RAB9A P51151 6/20 0.50
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
MCL1 Q07820 1/20 0.50
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
ABL1 P00519 2/20 0.47
FABP6 P51161 1/20 0.47
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL27982016 0.92 ALDH1A1 (0.47) ALDH1A1RAB9AKDM4EPOLBL3MBTL1
SCHEMBL29967465 0.84 TDP1 (0.54) ALDH1A1RAB9AKDM4EPOLBL3MBTL1
SCHEMBL11144403 0.84 TDP1 (0.54) ALDH1A1RAB9AKDM4EPOLBL3MBTL1
Hydrochloric Acid SCHEMBL10584298 0.83 TDP1 (0.53) ALDH1A1RAB9AKDM4EPOLBL3MBTL1
SCHEMBL10584287 0.81 ALDH1A1 (0.46) ALDH1A1RAB9AKDM4EKMT2AHPGD
SCHEMBL8764992 0.81 RAB9A (0.58) ALDH1A1RAB9AKDM4EPOLBL3MBTL1
SCHEMBL15689338 0.78 NPSR1 (0.46) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL14783907 0.78 NPSR1 (0.62) ALDH1A1RAB9AKDM4EPOLBMEN1
SCHEMBL29967657 0.78 TDP1 (0.54) ALDH1A1RAB9AKDM4EPOLBL3MBTL1
SCHEMBL1574747 0.78 TDP1 (0.54) ALDH1A1RAB9AKDM4EPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856236-B2 Substituted quinoxalines as FGFR kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2018-01-02 US disclosed
US-9290478-B2 Substituted quinoxalines as FGFR kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-03-22 US disclosed
US-9290478-B2 Substituted quinoxalines as FGFR kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-03-22 US disclosed
US-20160031856-A1 SUBSTITUTED QUINOXALINES AS FGFR KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2016-02-04 US disclosed
US-20160031856-A1 SUBSTITUTED QUINOXALINES AS FGFR KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2016-02-04 US disclosed
US-9145394-B2 2015-09-29 US disclosed
US-9145394-B2 2015-09-29 US disclosed
EP-2646432-B1 SUBSTITUTED BENZOPYRAZIN DERIVATIVES AS FGFR KINASE INHIBITORS FOR THE TREATMENT OF CANCER DISEASES ASTEX THERAPEUTICS LTD (GB) 2015-04-08 EP disclosed
US-20130267525-A1 SUBSTITUTED BENZOPYRAZIN DERIVATIVES AS FGFR KINASE INHIBITORS FOR THE TREATMENT OF CANCER DISEASES ASTEX THERAPEUTICS LIMITED (GB) 2013-10-10 US disclosed
US-20130267525-A1 SUBSTITUTED BENZOPYRAZIN DERIVATIVES AS FGFR KINASE INHIBITORS FOR THE TREATMENT OF CANCER DISEASES ASTEX THERAPEUTICS LIMITED (GB) 2013-10-10 US disclosed
WO-2012073017-A1 SUBSTITUTED BENZOPYRAZIN DERIVATIVES AS FGFR KINASE INHIBITORS FOR THE TREATMENT OF CANCER DISEASES ASTEX THERAPEUTICS LIMITED (GB) 2012-06-07 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 (2 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-20160031856-A1 SUBSTITUTED QUINOXALINES AS FGFR KINASE INHIBITORS FGFR1, FGFR3, ABL1 ALDH1A1 2079/4885RAB9A 1127/4885KDM4E 650/4885
US-20130267525-A1 SUBSTITUTED BENZOPYRAZIN DERIVATIVES AS FGFR KINASE INHIBITORS FOR THE TREATMENT OF CANCER DISEASES FGFR1, FGFR4, FGFR3 ALDH1A1 1649/4885RAB9A 2600/4885KDM4E 761/4885

“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.