SCHEMBL10275675

SCHEMBL10275675

CC1=C(c2ccc(F)cc2F)C=C2NC(C(N)c3ccc(C#N)cc3)=CC(=O)N2N1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
MAPK14 Q16539 1/20 0.30
EGFR P00533 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
SCHEMBL10275638 0.82 KCNH2 (0.36) KCNH2FNTAFNTBPGGT1BMAPK14
SCHEMBL10313880 0.78 BRD4 (0.38) KCNH2MAPK14
SCHEMBL10275678 0.78 BRD4 (0.39) KCNH2MAPK14
SCHEMBL10275941 0.72 MDM2 (0.34) KCNH2FNTAFNTBPGGT1BMAPK14
SCHEMBL10276004 0.72 KCNH2 (0.37) KCNH2FNTAFNTBPGGT1BMAPK14
SCHEMBL10275694 0.71 TDP2 (0.35)
SCHEMBL10276350 0.70 PDE3B (0.34) KCNH2
SCHEMBL10276333 0.70 ADORA1 (0.33) KCNH2FNTAFNTBPGGT1B
SCHEMBL10275499 0.69 KDM1A (0.38) KCNH2
SCHEMBL10276290 0.66 FNTA (0.34) KCNH2FNTAFNTBPGGT1BMAPK14

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 KCNH2 1984/4885FNTA 3998/4885FNTB 3608/4885

“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.