SCHEMBL1164034

SCHEMBL1164034

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 0.83

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
SCHEMBL20430649 0.91 PTK2 (0.89) PTK2
SCHEMBL12149270 0.91 PTK2 (1.00) PTK2
SCHEMBL12149281 0.90 PTK2 (1.00) PTK2
SCHEMBL12149330 0.90 PTK2 (1.00) PTK2
SCHEMBL1373737 0.90 PTK2 (0.90) PTK2
SCHEMBL12149287 0.89 PTK2 (1.00) PTK2
SCHEMBL15887556 0.89 PTK2 (0.89) PTK2
SCHEMBL1163956 0.89 PTK2 (0.82) PTK2
SCHEMBL12149331 0.89 PTK2 (1.00) PTK2
SCHEMBL15887554 0.89 PTK2 (0.89) PTK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464634-B1 REGIOSELECTIVE PREPARATION OF 2-AMINO-5-TRIFLUOROMETHYLPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2016-11-30 — — EP disclosed
US-8933227-B2 Selective synthesis of functionalized pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-13 — — US disclosed
EP-2464634-A1 REGIOSELECTIVE PREPARATION OF 2 -AMINO-5-TRIFLUOROMETHYLPYRIMIDINE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2012-06-20 — — EP disclosed
US-20110190499-A1 SELECTIVE SYNTHESIS OF FUNCTIONALIZED PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 — — US disclosed
WO-2011018518-A1 REGIOSELECTIVE PREPARATION OF 2 -AMINO-5-TRIFLUOROMETHYLPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 — — 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-20110190499-A1 SELECTIVE SYNTHESIS OF FUNCTIONALIZED PYRIMIDINES DPYD, TYMS, UMPS PTK2 3914/4885

“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.

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