SCHEMBL12137107

SCHEMBL12137107

COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)NC(C)(C)CO3)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
SCHEMBL12137111 0.91 PTK2 (1.00) PTK2
SCHEMBL12135163 0.88 PTK2 (1.00) PTK2
SCHEMBL12135587 0.88 PTK2 (1.00) PTK2
SCHEMBL12135078 0.87 PTK2 (1.00) PTK2
SCHEMBL12135046 0.85 PTK2 (1.00) PTK2
SCHEMBL12135108 0.85 PTK2 (1.00) PTK2
Ifebemtinib SCHEMBL29767371 0.84 PTK2 (1.00) PTK2
Ifebemtinib SCHEMBL12135026 0.84 PTK2 (1.00) PTK2
SCHEMBL12135370 0.84 PTK2 (1.00) PTK2
Ifebemtinib SCHEMBL31008531 0.84 PTK2 (0.99) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367800-B9 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER IPHARMA H K LTD (HK) 2021-10-20 — — EP disclosed
EP-2367800-B1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INT (DE) 2018-02-28 — — EP disclosed
US-9676762-B2 Pyrimidine compounds containing seven-membered fused ring systems BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 — — US disclosed
US-9676762-B2 Pyrimidine compounds containing seven-membered fused ring systems BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 — — US disclosed
US-20160362404-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-15 — — US disclosed
US-20160362404-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-15 — — US disclosed
US-20150376141-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2015-12-31 — — US disclosed
US-20140371205-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-18 — — US disclosed
US-8846689-B2 Substituted pyrimidines for the treatment of diseases such as cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 — — US disclosed
US-20110288071-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 — — 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 (4 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-20140371205-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER TYMP, HPRT1, TYMS PTK2 3591/4885
US-20160362404-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 PTK2 1813/4885
US-20150376141-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 PTK2 1256/4885
US-20110288071-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER TYMP, HPRT1, TYMS PTK2 3591/4885

“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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