SCHEMBL10276542

SCHEMBL10276542

Cc1nn2c(=O)c3ccc(CNc4ccc(C#N)cc4)cc3[nH]c2c1-c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
PI4KB Q9UBF8 1/20 0.38
CCNT1 O60563 6/20 0.38
CDK9 P50750 6/20 0.38
MAPK14 Q16539 1/20 0.36
IDH1 O75874 2/20 0.35
LRRK2 Q5S007 1/20 0.35
EGLN2 Q96KS0 2/20 0.35
ALK Q9UM73 1/20 0.34
SLC2A1 P11166 1/20 0.34
SLC2A3 P11169 1/20 0.34
SLC2A4 P14672 1/20 0.34

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
SCHEMBL10282687 0.96 BRD4 (0.43) BRD4PI4KBCCNT1CDK9MAPK14
SCHEMBL10275539 0.85 FLT3 (0.39) ALK
SCHEMBL10313875 0.84 BRD4 (0.39) BRD4PI4KBCCNT1CDK9MAPK14
SCHEMBL10275574 0.84 BRD4 (0.39) BRD4CCNT1CDK9IDH1LRRK2
SCHEMBL10276207 0.83 BRD4 (0.43) BRD4PI4KBCCNT1CDK9MAPK14
SCHEMBL10276540 0.82 MAPK14 (0.33) MAPK14
SCHEMBL10276148 0.81 BRD4 (0.41) BRD4PI4KBCCNT1CDK9IDH1
SCHEMBL10276292 0.81 BRD4 (0.43) BRD4PI4KBCCNT1CDK9MAPK14
SCHEMBL10282686 0.81 FNTA (0.34) MAPK14ALKSLC2A1SLC2A3SLC2A4
SCHEMBL10313803 0.78 BRD4 (0.40) BRD4PI4KBMAPK14

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 claimed
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 3228/4885PI4KB 3384/4885CCNT1 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.