SCHEMBL5651223

SCHEMBL5651223

Nc1cnc(C(=O)c2ccccc2)nc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
KMT2A Q03164 2/20 0.41
PBRM1 Q86U86 1/20 0.41
MAPK14 Q16539 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL27876904 0.83 KMT2A (0.43) MAPTGAAALDH1A1HTTHSD17B10
SCHEMBL17868331 0.80 RXFP1 (0.48) MAPTALDH1A1HTTCCNA2CDK2
SCHEMBL27911140 0.79 MAPK1 (0.50) MAPTALDH1A1KMT2AMAPK14GSK3A
SCHEMBL28960724 0.77 GABRP (0.36) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL28928002 0.74 JAK2 (0.41) MAPTGAAALDH1A1HSD17B10CCNA2
SCHEMBL31317518 0.74 CNR2 (0.54) MAPTGAAALDH1A1HTTHSD17B10
SCHEMBL27822677 0.74 CNR2 (0.54) MAPTGAAALDH1A1HTTHSD17B10
SCHEMBL27460220 0.74 ALDH1A1 (0.45) MAPTGAAALDH1A1HTTHSD17B10
SCHEMBL2386548 0.74 NNMT (0.36) MAPTGAAALDH1A1KMT2ARAB9A
SCHEMBL28489651 0.72 ALDH1A1 (0.65) MAPTGAAALDH1A1HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676724-B2 Cyanoquinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-06-13 US disclosed
CN-102933578-B Cyano-quinoline derivatives 天津和美生物技术有限公司 2016-09-07 CN disclosed
US-20160185728-A1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2016-06-30 US disclosed
CN-102933578-A Cyanoquinoline derivatives TIANJIN HEMAY BIO TECH CO LTD 2013-02-13 CN disclosed
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
CN-1391563-A Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 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 (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-20160185728-A1 CYANOQUINOLINE DERIVATIVES CBR3, CYP3A4, CDK1 MAPT 43/4885GAA 2677/4885ALDH1A1 2007/4885

“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.