SCHEMBL3595433

SCHEMBL3595433

CN(c1ccc(F)cc1)c1cnc(Nc2cccc(F)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.46
KIT P10721 2/20 0.46
PDGFRA P16234 2/20 0.46
CDK4 P11802 2/20 0.44
CCND1 P24385 1/20 0.44
CCND2 P30279 1/20 0.44
CCND3 P30281 1/20 0.44
GRM5 P41594 1/20 0.43
NTRK1 P04629 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CDK2 P24941 2/20 0.42
CCNT1 O60563 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK9 P50750 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SYK P43405 2/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41

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
SCHEMBL14753408 0.89 AURKA (0.54) KDRKITPDGFRAGRM5CDK2
SCHEMBL3590852 0.88 KCNH3 (0.51) KDRNTRK1MEN1KMT2ACDK2
SCHEMBL3592236 0.88 APP (0.55) CDK2CCNT1CCNE1CDK9SYK
SCHEMBL3584904 0.87 SYK (0.58) KDRKITPDGFRAMEN1KMT2A
SCHEMBL3595604 0.75 CDK8 (0.49) KDRCDK4CCND1CCND2CCND3
SCHEMBL180866 0.75 KDR (0.54) KDRCDK4CCND1CCND2CCND3
SCHEMBL22191608 0.75 GRM5 (0.49) KDRCDK4CCND1CCND2CCND3
SCHEMBL14753402 0.75 HPGD (0.47) KDRNTRK1MEN1KMT2ACDK2
SCHEMBL3951217 0.74 LMNA (0.53) KDRCDK4GRM5MEN1KMT2A
SCHEMBL3595608 0.74 APP (0.62) MEN1KMT2ASYKAURKAAPP

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-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
CN-101448794-A Pyrimidine derivatives for the treatment of amyloid-related diseases SENEXIS LTD (GB) 2009-06-03 CN 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 KDR 3982/4885KIT 4871/4885PDGFRA 1907/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT KDR 3982/4885KIT 4871/4885PDGFRA 1907/4885

“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.