SCHEMBL10313872

SCHEMBL10313872

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 2/20 0.37
PI4KB Q9UBF8 1/20 0.34
MAPK14 Q16539 2/20 0.33
P2RX7 Q99572 5/20 0.33
KCNH2 Q12809 1/20 0.33
CYP3A4 P08684 2/20 0.32
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
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
SCHEMBL10313834 0.85 BRD4 (0.41) BRD4FNTAFNTBPGGT1BPI4KB
SCHEMBL10275867 0.84 PI4KB (0.41) BRD4FNTAFNTBPGGT1BPI4KB
SCHEMBL10275293 0.82 KDM1A (0.39) FNTAFNTBPGGT1BPI4KBMAPK14
SCHEMBL10313875 0.81 BRD4 (0.39) BRD4FNTAFNTBPGGT1BPI4KB
SCHEMBL10275953 0.78 PI4KB (0.45) BRD4FNTAFNTBPGGT1BPI4KB
SCHEMBL10275864 0.78 FNTA (0.39) FNTAFNTBPGGT1BMAPK14
SCHEMBL10276148 0.76 BRD4 (0.41) BRD4PI4KBKCNH2EGLN2
SCHEMBL10275567 0.76 CHEK1 (0.37) FNTAFNTBPGGT1B
SCHEMBL10275286 0.76 BRD4 (0.40) BRD4FNTAFNTBPGGT1BPI4KB
SCHEMBL10276423 0.76 BRD4 (0.39) BRD4FNTAFNTBPGGT1BPI4KB

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 3228/4885FNTA 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.