SCHEMBL10276513

SCHEMBL10276513

Cc1nn2c(c1-c1ccc(C(F)(F)F)cc1)N=C(c1ccc(C(F)(F)F)nc1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.38
SLC11A2 P49281 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
PTGS2 P35354 4/20 0.34
SLC34A1 Q06495 2/20 0.34
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE2A O00408 1/20 0.33
TDP2 O95551 1/20 0.33
MTOR P42345 2/20 0.33
PIK3CA P42336 1/20 0.33
PDPK1 O15530 1/20 0.33
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL10313529 0.92 CNR1 (0.37) CNR1PTGS2SLC34A1CYP2C9CYP3A4
SCHEMBL10275284 0.88 SLC11A2 (0.40) SLC11A2CCNA2CDK2PDE2ATDP2
SCHEMBL10275919 0.82 CNR1 (0.38) CNR1SLC11A2CCNA2CDK2PTGS2
SCHEMBL10275292 0.80 KIF11 (0.46) CNR1SLC11A2SLC34A1CYP3A4
SCHEMBL10275453 0.78 OPRM1 (0.38) SLC11A2CYP2C9CYP3A4CYP2C19PDE2A
SCHEMBL10276440 0.76 OPRM1 (0.38) PTGS2CYP2C9CYP3A4CYP2C19PDE2A
SCHEMBL10313530 0.74 CNR1 (0.37) CNR1PTGS2SLC34A1CYP2C9CYP3A4
SCHEMBL12826199 0.70 CCNA2 (0.37) CNR1SLC11A2CCNA2CDK2PTGS2
SCHEMBL10276117 0.69 CNR1 (0.41) CNR1SLC11A2SLC34A1CYP2C9CYP3A4
SCHEMBL10276231 0.69 CNR1 (0.41) CNR1SLC11A2PDE2AKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 CNR1 877/4885SLC11A2 4127/4885CCNA2 301/4885

“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.