SCHEMBL10275919

SCHEMBL10275919

Cc1nn2c(c1-c1ccc(C(F)(F)F)cc1)C(c1ccc(C(F)(F)F)nc1)=NC2=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.38
SLC34A1 Q06495 2/20 0.36
PDE2A O00408 2/20 0.35
SLC11A2 P49281 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CYP2C9 P11712 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
PTGS2 P35354 2/20 0.33
TDP2 O95551 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL10313530 0.92 CNR1 (0.37) CNR1SLC34A1CYP2C9CYP3A4CYP2C19
SCHEMBL10275758 0.88 PDE2A (0.40) PDE2ASLC11A2CCNA2CDK2TDP2
SCHEMBL10276513 0.82 CNR1 (0.38) CNR1SLC34A1PDE2ASLC11A2CCNA2
SCHEMBL10275434 0.80 KIF11 (0.46) CNR1SLC34A1PDE2ACYP3A4
SCHEMBL10276114 0.78 PGR (0.39) PDE2ACYP2C9CYP3A4CYP2C19
SCHEMBL10275596 0.76 PGR (0.38) PDE2ACYP2C9CYP3A4CYP2C19PTGS2
SCHEMBL10313529 0.74 CNR1 (0.37) CNR1SLC34A1CYP2C9CYP3A4PTGS2
SCHEMBL10313488 0.74 ALDH1A1 (0.34) CYP2C9CYP3A4CYP2C19PTGS2
SCHEMBL10276117 0.71 CNR1 (0.41) CNR1SLC34A1PDE2ASLC11A2CYP2C9
SCHEMBL12826199 0.70 CCNA2 (0.37) CNR1PDE2ASLC11A2CCNA2CDK2

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 CNR1 877/4885SLC34A1 474/4885PDE2A 3531/4885

“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.