SCHEMBL4898702

SCHEMBL4898702

Fc1cccc(Nc2ncc(CN3CCOCC3)c(C(F)(F)F)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.48
NTRK1 P04629 4/20 0.47
CDK1 P06493 1/20 0.46
KDR P35968 1/20 0.46
EGFR P00533 1/20 0.45
STAT6 P42226 1/20 0.45
CHEK1 O14757 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
SYK P43405 1/20 0.44
TBK1 Q9UHD2 2/20 0.44
MAPK1 P28482 1/20 0.43
NUAK1 O60285 1/20 0.43
STK16 O75716 1/20 0.43
CSF1R P07333 1/20 0.43
CSNK2A2 P19784 1/20 0.43
TYK2 P29597 1/20 0.43
AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL4889093 0.89 CNR2 (0.55) CNR2CDK1KDREGFRSYK
SCHEMBL4897341 0.86 CDK1 (0.51) CNR2NTRK1CDK1KDREGFR
SCHEMBL4896760 0.79 CNR2 (0.53) CNR2SYKCYP2D6CYP2C19CYP3A4
SCHEMBL4886226 0.79 CNR2 (0.61) CNR2NTRK1SYKTBK1CYP2D6
SCHEMBL14026176 0.79 BRD4 (0.48) CNR2NTRK1CDK1KDREGFR
SCHEMBL14026128 0.78 CNR2 (0.54) CNR2SYKCYP2D6CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL4895824 0.78 BRD4 (0.48) CNR2NTRK1CDK1KDREGFR
SCHEMBL3379094 0.78 CNR2 (0.58) CNR2NTRK1KDRSTAT6SYK
SCHEMBL5708633 0.77 CNR2 (0.56) CNR2SYKTBK1CYP2D6CYP2C19
SCHEMBL4885157 0.77 CNR2 (0.55) CNR2LRRK2CYP3A4CYP2C9AURKA

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 3 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
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 CNR2 1/4885NTRK1 834/4885CDK1 347/4885

“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.