SCHEMBL10275553

SCHEMBL10275553

Cc1nc(Nc2ccc(C#N)cc2)c2ncn(-c3ccc(F)cc3F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.41
CTSS P25774 3/20 0.41
CTSC P53634 3/20 0.41
CTSZ Q9UBR2 3/20 0.41
CTSV O60911 2/20 0.41
CTSH P09668 2/20 0.41
CTSK P43235 2/20 0.41
KLK4 Q9Y5K2 2/20 0.41
CTSB P07858 1/20 0.41
CASP4 P49662 1/20 0.41
MMP14 P50281 1/20 0.41
BACE1 P56817 1/20 0.41
ADAM17 P78536 1/20 0.41
SYK P43405 1/20 0.41
CDK1 P06493 6/20 0.39
KCNN3 Q9UGI6 1/20 0.38
PRKCA P17252 2/20 0.37
CASP1 P29466 2/20 0.37
CRHR1 P34998 4/20 0.37
NPC1 O15118 2/20 0.36

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
SCHEMBL10275527 0.79 SYK (0.41) SYKCRHR1NPC1RAB9ACYP1A2
SCHEMBL10276071 0.78 EGFR (0.43) CTSLCTSSCTSCCTSZCTSV
SCHEMBL10313899 0.76 CRHR1 (0.39) CTSLCTSSCTSCCTSZCTSV
SCHEMBL10275897 0.74 NPC1 (0.47) CRHR1NPC1
SCHEMBL10275464 0.71 EGFR (0.42) NPC1RAB9A
SCHEMBL10313898 0.66 CTSV (0.39) CTSLCTSSCTSCCTSZCTSV
SCHEMBL183272 0.65 YTHDC1 (0.57) CDK1KCNN3NPC1
SCHEMBL10313811 0.64 MAPT (0.51) CRHR1NPC1RAB9A
SCHEMBL183372 0.63 CDK1 (0.46) SYKCDK1KCNN3PRKCA
SCHEMBL183257 0.63 KCNN3 (0.76) KCNN3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 CTSL 1722/4885CTSS 1034/4885CTSC 1172/4885

“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.