SCHEMBL10276042

SCHEMBL10276042

Cc1nn2c(=O)cc(CNc3ccc(C#N)cc3)nc2cc1-c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.40
RAB9A P51151 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
EGLN2 Q96KS0 3/20 0.34
AR P10275 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KCNH2 Q12809 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 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
SCHEMBL10275311 0.84 BRD4 (0.42) BRD4EGLN2ARKCNH2
SCHEMBL10275338 0.81 AR (0.43) RAB9AEGLN2AR
SCHEMBL10276041 0.78 MAPK14 (0.35) GRIN1GRIN2AEGLN2ARKCNH2
SCHEMBL10275309 0.77 FNTA (0.36) EGLN2ARKCNH2FNTAFNTB
SCHEMBL10276148 0.76 BRD4 (0.41) BRD4GRIN1EGLN2ARKCNH2
SCHEMBL10313834 0.76 BRD4 (0.41) BRD4EGLN2KCNH2FNTAFNTB
SCHEMBL10275286 0.72 BRD4 (0.40) BRD4EGLN2ARKCNH2FNTA
SCHEMBL10313875 0.71 BRD4 (0.39) BRD4GRIN1EGLN2KCNH2FNTA
SCHEMBL10313872 0.71 BRD4 (0.39) BRD4EGLN2KCNH2FNTAFNTB
SCHEMBL10275238 0.71 AR (0.41) BRD4EGLN2ARKCNH2FNTA

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
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 3228/4885RAB9A 3784/4885GRIN1 1682/4885

“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.