SCHEMBL4897341

SCHEMBL4897341

N#Cc1cccc(Nc2ncc(CN3CCOCC3)c(C(F)(F)F)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.51
KDR P35968 2/20 0.51
CNR2 P34972 3/20 0.51
SMG1 Q96Q15 1/20 0.49
SYK P43405 3/20 0.47
CDC7 O00311 1/20 0.43
MAOB P27338 1/20 0.43
GRM5 P41594 1/20 0.43
PLK4 O00444 1/20 0.41
NUAK1 O60285 1/20 0.41
STK16 O75716 1/20 0.41
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41
CSNK2A2 P19784 1/20 0.41
TYK2 P29597 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
ULK3 Q6PHR2 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
EGFR P00533 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
SCHEMBL4898702 0.86 CNR2 (0.48) CDK1KDRCNR2SYKNUAK1
SCHEMBL14045917 0.86 CDK1 (0.52) CDK1KDRCNR2SMG1SYK
SCHEMBL4889093 0.85 CNR2 (0.55) CDK1KDRCNR2SMG1SYK
SCHEMBL4893836 0.81 CNR2 (0.63) CNR2SYKCDC7MAOBGRM5
SCHEMBL14026150 0.78 CNR2 (0.55) CDK1CNR2SYKCDC7MAOB
SCHEMBL14026161 0.76 CNR2 (0.58) CNR2SYKCDC7MAOBGRM5
SCHEMBL4896760 0.76 CNR2 (0.53) CNR2SYKMAOBGRM5CYP3A4
SCHEMBL14026176 0.76 BRD4 (0.48) CDK1KDRCNR2SMG1SYK
SCHEMBL14026128 0.75 CNR2 (0.54) CNR2SYKMAOBGRM5CYP3A4
Hydrochloric Acid SCHEMBL4895824 0.75 BRD4 (0.48) CDK1KDRCNR2SMG1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US 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-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators CNR2, CNR1, P2RY2 CDK1 347/4885KDR 1090/4885CNR2 1/4885

“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.