SCHEMBL10275864

SCHEMBL10275864

Cc1nn2c(=O)c(C)c(C(N)c3ccc(C#N)cc3)n(C)c2c1-c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.39
FNTB P49356 6/20 0.39
PGGT1B P53609 5/20 0.39
KDM1A O60341 1/20 0.33
MAPK14 Q16539 1/20 0.32
PTPN11 Q06124 1/20 0.31
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL10275952 0.85 FNTA (0.39) FNTAFNTBPGGT1BKDM1AMAPK14
SCHEMBL10275293 0.82 KDM1A (0.39) FNTAFNTBPGGT1BKDM1AMAPK14
SCHEMBL10276206 0.80 FNTA (0.36) FNTAFNTBPGGT1BKDM1AMAPK14
SCHEMBL10275867 0.78 PI4KB (0.41) FNTAFNTBPGGT1BMAPK14
SCHEMBL10313872 0.78 BRD4 (0.39) FNTAFNTBPGGT1BMAPK14
SCHEMBL10275567 0.76 CHEK1 (0.37) FNTAFNTBPGGT1BKDM1APGR
SCHEMBL10276290 0.76 FNTA (0.34) FNTAFNTBPGGT1BMAPK14PGR
SCHEMBL10275521 0.76 AR (0.36) FNTAFNTBPGGT1BKDM1APGR
SCHEMBL10282686 0.75 FNTA (0.34) FNTAFNTBPGGT1BMAPK14
SCHEMBL10276646 0.73 FNTA (0.35) FNTAFNTBPGGT1BMAPK14

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 FNTA 3998/4885FNTB 3608/4885PGGT1B 2260/4885

“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.