SCHEMBL10275852

SCHEMBL10275852

CCC1=C2NC(c3ccc(N)cc3)=CC(=O)N2NC(C)=C1c1ccc(F)cc1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
ADAM17 P78536 1/20 0.31
HTR2A P28223 1/20 0.31
GRM2 Q14416 1/20 0.31
CYP3A4 P08684 1/20 0.30
HSD11B1 P28845 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL10275694 0.78 TDP2 (0.35) TDP2ADAM17HTR2AGRM2
SCHEMBL10275411 0.69 APP (0.37) TDP2ALOX5APFEN1ADAM17
SCHEMBL10275854 0.69 PARK7 (0.31)
SCHEMBL10275481 0.69 ADAM17 (0.35) TDP2ALOX5APFEN1ADAM17HTR2A
SCHEMBL10275773 0.66 APP (0.34) TDP2ALOX5APFEN1ADAM17
SCHEMBL10275638 0.66 KCNH2 (0.36) TDP2ALOX5APFEN1ADAM17
SCHEMBL10276004 0.65 KCNH2 (0.37) TDP2ADAM17HTR2AGRM2
SCHEMBL11545227 0.63 TAAR1 (0.50) TDP2ALOX5APFEN1GRM2CYP3A4
SCHEMBL10275697 0.61 PDE3B (0.34) TDP2ALOX5APFEN1HTR2AGRM2
SCHEMBL10276613 0.61 PDE3B (0.32) TDP2ALOX5APFEN1HTR2AGRM2

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 TDP2 1492/4885ALOX5AP 1631/4885FEN1 1832/4885

“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.