SCHEMBL15973997

SCHEMBL15973997

Nc1cnc(Nc2ccc(F)cc2)nc1NC1CCCN(C(=O)O)C1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.56
ITK Q08881 3/20 0.55
JAK3 P52333 1/20 0.55
BTK Q06187 5/20 0.54
BMX P51813 1/20 0.49
SYK P43405 6/20 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
SCHEMBL15974365 0.90 EGFR (0.47) EGFRITKJAK3BTKSYK
SCHEMBL15974879 0.88 EGFR (0.57) EGFRBTKSYK
SCHEMBL15974250 0.87 EGFR (0.53) EGFRITKJAK3BTKBMX
SCHEMBL17388661 0.87 EGFR (0.53) EGFRITKJAK3BTKBMX
SCHEMBL15973781 0.85 EGFR (0.53) EGFRITKJAK3BTKBMX
SCHEMBL19665697 0.79 MAPK8 (0.45) EGFRITKJAK3BTKSYK
SCHEMBL1694067 0.78 JAK3 (0.44) EGFRITKJAK3BTK
SCHEMBL15974153 0.78 EGFR (0.49) EGFRITKJAK3BTKSYK
SCHEMBL14060361 0.78 EGFR (0.48) EGFRITKJAK3BTKSYK
SCHEMBL13859301 0.77 EGFR (0.61) EGFRITKBTKBMXSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708326-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-07-18 US disclosed
US-20160002241-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, LLC. (US) 2016-01-07 US disclosed
WO-2014130693-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-08-28 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-20160002241-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK EGFR 785/4885ITK 145/4885JAK3 60/4885

“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.