SCHEMBL10275574

SCHEMBL10275574

N#Cc1ccc(NCc2ccc3c(=O)n4nc(-c5ccc(F)cc5F)nc4[nH]c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
IDH1 O75874 2/20 0.36
EGLN2 Q96KS0 2/20 0.35
CCNT1 O60563 5/20 0.34
CDK9 P50750 5/20 0.34
LRRK2 Q5S007 1/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
VNN1 O95497 1/20 0.33
KCNH2 Q12809 1/20 0.33
NTRK1 P04629 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
MAP2K4 P45985 1/20 0.33

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
SCHEMBL10275650 0.84 FLT3 (0.38)
SCHEMBL10276542 0.84 BRD4 (0.41) BRD4IDH1EGLN2CCNT1CDK9
SCHEMBL10275571 0.80 MAPK14 (0.35) KCNH2
SCHEMBL10282687 0.79 BRD4 (0.43) BRD4IDH1EGLN2CCNT1CDK9
SCHEMBL10275495 0.72 TNKS2 (0.36) KCNH2
SCHEMBL10276351 0.70 TRPV1 (0.37) HDAC6
SCHEMBL10276020 0.70 ALDH1A1 (0.44)
SCHEMBL10275828 0.69 KMT2A (0.42)
SCHEMBL10313875 0.68 BRD4 (0.39) BRD4IDH1EGLN2CCNT1CDK9
SCHEMBL10313547 0.68 DHODH (0.42)

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 3228/4885IDH1 696/4885EGLN2 4250/4885

“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.