SCHEMBL10313834

SCHEMBL10313834

Cc1nn2c(=O)cc(CNc3ccc(C#N)cc3)n(C)c2c1-c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.41
PI4KB Q9UBF8 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
THRB P10828 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
MAPK14 Q16539 1/20 0.32
BRD1 O95696 1/20 0.32
BRPF1 P55201 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
SCHEMBL10313872 0.85 BRD4 (0.39) BRD4PI4KBFNTAFNTBPGGT1B
SCHEMBL10275953 0.84 PI4KB (0.45) BRD4PI4KBFNTAFNTBPGGT1B
SCHEMBL10275521 0.81 AR (0.36) BRD4PI4KBFNTAFNTBPGGT1B
SCHEMBL10276148 0.80 BRD4 (0.41) BRD4PI4KBKCNH2EGLN2
SCHEMBL10275867 0.78 PI4KB (0.41) BRD4PI4KBFNTAFNTBPGGT1B
SCHEMBL10275952 0.78 FNTA (0.39) BRD4PI4KBFNTAFNTBPGGT1B
SCHEMBL10276423 0.76 BRD4 (0.39) BRD4PI4KBFNTAFNTBPGGT1B
SCHEMBL10275286 0.76 BRD4 (0.40) BRD4PI4KBFNTAFNTBPGGT1B
SCHEMBL10313875 0.76 BRD4 (0.39) BRD4PI4KBFNTAFNTBPGGT1B
SCHEMBL10276042 0.76 BRD4 (0.40) BRD4FNTAFNTBPGGT1BKCNH2

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 disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 WO 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 3228/4885PI4KB 3384/4885FNTA 3998/4885

“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.