SCHEMBL13860187

SCHEMBL13860187

Nc1n[nH]c2cc(Nc3cccc(C=O)c3)nc(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.54
▸ AURKA O14965 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42

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
SCHEMBL13860120 0.84 BTK (0.48) BTK
SCHEMBL13860201 0.82 BTK (0.56) BTK
SCHEMBL13860202 0.82 BTK (0.56) BTK
SCHEMBL18783246 0.77 BTK (0.58) BTK
SCHEMBL6116021 0.74 BTK (0.86) BTKAURKAPDPK1TGFBR1AURKB
SCHEMBL1163932 0.73 BTK (0.83) BTK
SCHEMBL1163024 0.73 BTK (0.69) BTK
SCHEMBL1163890 0.73 BTK (0.84) BTKAURKAPDPK1TGFBR1AURKB
SCHEMBL1163216 0.72 BTK (0.75) BTKAURKAROCK1AURKB
SCHEMBL6115936 0.72 BTK (0.68) BTKAURKAROCK1AURKB

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-20140107151-A1 TYROSINE KINASE INHIBITORS Principia Biophama Inc. (US) 2014-04-17 — — US disclosed
US-20140107151-A1 TYROSINE KINASE INHIBITORS Principia Biophama Inc. (US) 2014-04-17 — — US disclosed
US-20140107151-A1 TYROSINE KINASE INHIBITORS Principia Biophama Inc. (US) 2014-04-17 — — US disclosed
WO-2012158810-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (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-20140107151-A1 TYROSINE KINASE INHIBITORS BMX, BLK, ITK BTK 4/4885AURKA 534/4885PDPK1 464/4885

“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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