SCHEMBL3584904

SCHEMBL3584904

COc1cccc(Nc2ncc(N(C)c3ccc(F)cc3)cn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
PIK3CA P42336 2/20 0.55
PIK3CG P48736 2/20 0.55
AURKA O14965 1/20 0.51
USP2 O75604 4/20 0.50
CYP1A2 P05177 4/20 0.50
LMNA P02545 2/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CLK4 Q9HAZ1 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
EGFR P00533 2/20 0.49
KDR P35968 2/20 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
SCHEMBL3595433 0.87 KDR (0.46) SYKAURKAMEN1KMT2ACDK2
SCHEMBL14753408 0.84 AURKA (0.54) AURKAUSP2CCNA2CDK2CDK5
SCHEMBL3590852 0.84 KCNH3 (0.51) SYKAURKAUSP2CYP1A2MEN1
SCHEMBL3592236 0.83 APP (0.55) SYKAURKACDK2APP
SCHEMBL3583812 0.82 SYK (0.61) SYKPIK3CAPIK3CGAURKAUSP2
SCHEMBL22191547 0.76 SYK (0.60) SYKPIK3CAPIK3CGAURKAUSP2
SCHEMBL3589836 0.76 APP (0.76) SYKPIK3CAPIK3CGAURKAUSP2
SCHEMBL2284267 0.76 EGFR (0.72) SYKPIK3CAPIK3CGMEN1KMT2A
SCHEMBL4552673 0.76 APP (0.60) SYKAURKACYP3A4APP
SCHEMBL9479612 0.75 MTNR1B (0.57) MEN1KMT2AMAPTMAPK1

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 SYK 3311/4885PIK3CA 2133/4885PIK3CG 2831/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT SYK 3311/4885PIK3CA 2133/4885PIK3CG 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.