SCHEMBL13720176

SCHEMBL13720176

COc1cc(N)c(C#N)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
USP2 O75604 2/20 0.49
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
EGFR P00533 4/20 0.39
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
NPC1 O15118 1/20 0.37
CHEK1 O14757 1/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37

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
SCHEMBL82833 0.84 ALDH1A1 (0.55) KDM4EALDH1A1USP2AREGFR
SCHEMBL21996461 0.78 ALDH1A1 (0.49) KDM4EALDH1A1USP2ARHSD17B10
SCHEMBL27118917 0.78 ALDH1A1 (0.49) KDM4EALDH1A1USP2ARLMNA
SCHEMBL1708651 0.78 KDM4E (0.49) KDM4EALDH1A1USP2NPC1IMPDH2
SCHEMBL11153594 0.78 NPC1 (0.60) KDM4EALDH1A1USP2RAB9AMAPK1
SCHEMBL9672741 0.78 SNCA (0.41) KDM4EALDH1A1USP2MEN1KMT2A
SCHEMBL13008679 0.78 KDM4E (0.50) KDM4EALDH1A1MAOBMEN1KMT2A
SCHEMBL2596413 0.77 ALDH1A1 (0.45) KDM4EALDH1A1USP2ARMAPK1
SCHEMBL1511834 0.76 ALDH1A1 (0.60) KDM4EALDH1A1USP2PGRAR
SCHEMBL9721882 0.76 ALDH1A1 (0.50) KDM4EALDH1A1USP2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617227-B2 Process of preparing a quinazoline derivative SCINOPHARM (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2017-04-11 US disclosed
US-9617227-B2 Process of preparing a quinazoline derivative SCINOPHARM (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2017-04-11 US disclosed
US-20160200688-A1 Process of Preparing a Quinazoline Derivative SCIANDA (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2016-07-14 US disclosed
US-20160200688-A1 Process of Preparing a Quinazoline Derivative SCIANDA (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2016-07-14 US disclosed
WO-2015188318-A1 PROCESS FOR PREPARING QUINAZOLINE DERIVATIVE SCINOPHARM (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2015-12-17 WO disclosed
EP-1546119-B1 PROCESS FOR THE PREPARATION OF 4- (3'CHLORO-4'-FLUOROANILINO) -7-METHOXY-6- (3-MORPHOLINOPROPOXY) QUINAZOLINE ASTRAZENECA AB (SE) 2009-08-19 EP 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 (1 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-20160200688-A1 Process of Preparing a Quinazoline Derivative ABL1, EGFR, KRAS KDM4E 3859/4885ALDH1A1 2355/4885USP2 4395/4885

“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.