SCHEMBL3592360

SCHEMBL3592360

COc1cccc(Nc2ncc(OC3=COC=C(C4=CC=CCC4)O3)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
USP2 O75604 7/20 0.39
CYP1A2 P05177 7/20 0.39
CYP3A4 P08684 4/20 0.39
CLK4 Q9HAZ1 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SYK P43405 1/20 0.39
CYP2C9 P11712 3/20 0.38
TSHR P16473 2/20 0.38
EGFR P00533 3/20 0.36
ERBB3 P21860 1/20 0.36
CYP2C19 P33261 3/20 0.36
KDR P35968 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35

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
SCHEMBL3608447 0.88 APP (0.43) CDK2SYKKDRKMT2ACDK1
SCHEMBL3581478 0.88 GRM5 (0.35) KDRMEN1KMT2AMAPK1APP
SCHEMBL3594445 0.88 CDK5 (0.31) CDK5CDK5R1
SCHEMBL4825740 0.68 PKM (0.34)
SCHEMBL4825230 0.68 CES2 (0.39) CYP1A2CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL3583812 0.66 SYK (0.61) CCNA2CDK2CDK5CDK5R1USP2
SCHEMBL3592355 0.65 SYK (0.52) CCNA2CDK2CDK5CDK5R1USP2
SCHEMBL14603934 0.64 TSHR (0.52) ALDH1A1TSHREGFRMEN1KMT2A
SCHEMBL4826527 0.64 PDE4A (0.50) NPC1RAB9A
SCHEMBL22191547 0.64 SYK (0.60) CCNA2CDK2CDK5CDK5R1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
EP-2010502-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2009-01-07 EP disclosed
WO-2007125351-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2007-11-08 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-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT CCNA2 1092/4885CDK2 452/4885CDK5 269/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT CCNA2 1092/4885CDK2 452/4885CDK5 269/4885

“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.