SCHEMBL10276423

SCHEMBL10276423

Cc1nn2c(c1-c1ccc(F)cc1F)N=C(CNc1ccc(C#N)cc1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
AR P10275 4/20 0.35
KCNH2 Q12809 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
P2RX7 Q99572 1/20 0.33
MAPK14 Q16539 1/20 0.33
OPRM1 P35372 1/20 0.32
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
PI4KB Q9UBF8 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
SCHEMBL10275286 0.85 BRD4 (0.40) BRD4ARKCNH2FNTAFNTB
SCHEMBL10275741 0.83 BRD4 (0.40) BRD4ARKCNH2P2RX7MAPK14
SCHEMBL10275478 0.81 AR (0.39) ARKCNH2FNTAFNTBPGGT1B
SCHEMBL10276420 0.77 AR (0.34) ARKCNH2FNTAFNTBPGGT1B
SCHEMBL10276646 0.77 FNTA (0.35) ARKCNH2FNTAFNTBPGGT1B
SCHEMBL10313834 0.76 BRD4 (0.41) BRD4KCNH2FNTAFNTBPGGT1B
SCHEMBL10313872 0.76 BRD4 (0.39) BRD4KCNH2FNTAFNTBPGGT1B
SCHEMBL10276148 0.75 BRD4 (0.41) BRD4ARKCNH2CCNT1CDK9
SCHEMBL10275477 0.74 BRD4 (0.42) BRD4ARKCNH2P2RX7MAPK14
SCHEMBL10313875 0.74 BRD4 (0.39) BRD4KCNH2FNTAFNTBPGGT1B

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 3 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 claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
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 3228/4885AR 3221/4885KCNH2 1984/4885

“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.