SCHEMBL13859271

SCHEMBL13859271

CN1CCN(c2ccc(Nc3ncc(F)c(NC4CCCN(C(=O)CC#N)C4)n3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.56
BTK Q06187 6/20 0.56
ITK Q08881 3/20 0.56
SYK P43405 2/20 0.51
BMX P51813 1/20 0.49
BRD4 O60885 2/20 0.47

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
SCHEMBL13859248 0.91 BTK (0.57) EGFRBTKITKSYKBMX
SCHEMBL18559566 0.87 EGFR (0.57) EGFRBTKITKSYKBMX
SCHEMBL16204459 0.86 EGFR (0.56) EGFRBTKITKSYKBMX
SCHEMBL13861126 0.85 BTK (0.54) EGFRBTKITKSYKBMX
SCHEMBL18559562 0.85 BTK (0.54) EGFRBTKITKSYKBMX
SCHEMBL13859334 0.84 EGFR (0.58) EGFRBTKITKSYKBMX
SCHEMBL13859261 0.84 EGFR (0.59) EGFRBTKITKBMX
SCHEMBL13859333 0.82 BRD4 (0.44) EGFRBTKSYKBRD4
SCHEMBL27956436 0.80 EGFR (0.54) EGFRBTKITKSYKBMX
SCHEMBL18559733 0.79 EGFR (0.56) EGFRBTKITKSYKBMX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed
US-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 US disclosed
EP-2710007-A2 KINASE INHIBITORS The Regents of the University of California (US) 2014-03-26 EP disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 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-20140323464-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 EGFR 432/4885BTK 279/4885ITK 507/4885

“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.