SCHEMBL3605467

SCHEMBL3605467

COc1cccc(Nc2cnc(Nc3ccc(Cl)c(Cl)c3)nc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.60
PIK3CB P42338 3/20 0.60
PIK3CG P48736 3/20 0.60
SYK P43405 1/20 0.54
BRD4 O60885 1/20 0.52
EGFR P00533 4/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
AURKA O14965 1/20 0.50
ERBB3 P21860 1/20 0.50
FGFR1 P11362 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
USP2 O75604 1/20 0.48

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
SCHEMBL3597265 0.81 SYK (0.48) SYKMEN1KMT2ARAB9AMAPT
SCHEMBL3591877 0.81 HDAC6 (0.53) SYKEGFRCDK5AURKAFGFR1
SCHEMBL10975121 0.80 GUSB (0.57) PIK3CAPIK3CBPIK3CGSYKCDK5
SCHEMBL22191547 0.79 SYK (0.60) PIK3CAPIK3CBPIK3CGSYKEGFR
SCHEMBL29575097 0.78 BRD4 (0.72) PIK3CAPIK3CBPIK3CGSYKBRD4
SCHEMBL17544617 0.78 BRD4 (0.72) PIK3CAPIK3CBPIK3CGSYKBRD4
SCHEMBL2284267 0.78 EGFR (0.72) PIK3CAPIK3CBPIK3CGSYKEGFR
SCHEMBL1921496 0.75 MTNR1B (0.72) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL24842787 0.75 CTSC (0.73) SYKBRD4EGFRCCNA2CDK2
SCHEMBL29816858 0.75 CTSC (0.73) SYKBRD4EGFRCCNA2CDK2

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 7 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-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
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 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 PIK3CA 2133/4885PIK3CB 2076/4885PIK3CG 2831/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT PIK3CA 2133/4885PIK3CB 2076/4885PIK3CG 2831/4885

“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.