SCHEMBL1163979

SCHEMBL1163979

COc1cc(C(=O)OCc2ccccc2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 19/20 0.54
▸ EGFR P00533 1/20 0.49

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
SCHEMBL1163738 0.88 PTK2 (0.67) PTK2EGFR
SCHEMBL20420601 0.86 PTK2 (0.49) PTK2
SCHEMBL16995419 0.82 PTK2 (0.53) PTK2
SCHEMBL380932 0.81 PTK2 (0.52) PTK2
SCHEMBL1164034 0.79 PTK2 (0.83) PTK2
SCHEMBL12119496 0.75 LRRK2 (0.48) PTK2
SCHEMBL12745482 0.74 LRRK2 (0.51) PTK2
SCHEMBL1466613 0.74 LRRK2 (0.51) PTK2
SCHEMBL1467078 0.74 LRRK2 (0.51) PTK2
SCHEMBL12745485 0.74 LRRK2 (0.51) 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 3914/4885EGFR 2285/4885

“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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