SCHEMBL12149332

SCHEMBL12149332

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2C(C)=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 1.00

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
SCHEMBL12149198 0.94 PTK2 (1.00) PTK2
SCHEMBL15887555 0.92 PTK2 (0.85) PTK2
SCHEMBL12149329 0.92 PTK2 (1.00) PTK2
SCHEMBL13363720 0.92 PTK2 (0.84) PTK2
SCHEMBL12149277 0.90 PTK2 (1.00) PTK2
SCHEMBL1373737 0.90 PTK2 (0.90) PTK2
SCHEMBL20430478 0.90 PTK2 (0.81) PTK2
SCHEMBL12149333 0.89 PTK2 (1.00) PTK2
SCHEMBL15887567 0.89 PTK2 (0.87) PTK2
SCHEMBL15887559 0.89 PTK2 (0.88) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367799-B1 2-AMINO-5-TRIFLUOROMETHYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS PTK2 KINASE INHIBITORS IPHARMA H K LTD (HK) 2018-08-01 — — EP disclosed
US-8785464-B2 Pyrimidine derivatives that inhibit FAK/PTK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 — — US disclosed
US-8785464-B2 Pyrimidine derivatives that inhibit FAK/PTK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 — — US disclosed
US-20140038993-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-06 — — US disclosed
US-20140038993-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-06 — — US disclosed
US-20110288109-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 — — US disclosed
US-20110288109-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 — — US disclosed
WO-2010058030-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 — — 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 (2 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-20110288109-A1 NEW COMPOUNDS MKI67, CCNA1, CCNT1 PTK2 1075/4885
US-20140038993-A1 NEW COMPOUNDS MKI67, CCNA1, CCNT1 PTK2 1284/4885

“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.

Send feedback