SCHEMBL10313875

SCHEMBL10313875

Cc1nn2c(=O)c(C)c(CNc3ccc(C#N)cc3)[nH]c2c1-c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
KCNH2 Q12809 1/20 0.36
CCNT1 O60563 4/20 0.34
CDK9 P50750 4/20 0.34
PI4KB Q9UBF8 1/20 0.34
IDH1 O75874 3/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPK14 Q16539 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
PTH1R Q03431 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
SCHEMBL10313803 0.86 BRD4 (0.40) BRD4KCNH2PI4KBMAPK14
SCHEMBL10276148 0.85 BRD4 (0.41) BRD4KCNH2CCNT1CDK9PI4KB
SCHEMBL10276207 0.85 BRD4 (0.43) BRD4KCNH2CCNT1CDK9PI4KB
SCHEMBL10276542 0.84 BRD4 (0.41) BRD4CCNT1CDK9PI4KBIDH1
SCHEMBL10282687 0.83 BRD4 (0.43) BRD4CCNT1CDK9PI4KBIDH1
SCHEMBL10275295 0.82 MAPK14 (0.37) KCNH2PI4KBGRIN1GRIN2BMAPK14
SCHEMBL10313872 0.81 BRD4 (0.39) BRD4KCNH2PI4KBMAPK14FNTA
SCHEMBL10276206 0.78 FNTA (0.36) KCNH2MAPK14FNTAFNTBPGGT1B
SCHEMBL10276292 0.78 BRD4 (0.43) BRD4KCNH2CCNT1CDK9PI4KB
SCHEMBL10313834 0.76 BRD4 (0.41) BRD4KCNH2PI4KBMAPK14FNTA

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 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 BRD4 3228/4885KCNH2 1984/4885CCNT1 38/4885

“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.