SCHEMBL20359689

SCHEMBL20359689

CC(C)c1nc(C(=O)NCc2ccc(-c3ccnc4[nH]nc(N5CCC(N)C5)c34)cc2F)co1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ NTRK1 P04629 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.35

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
SCHEMBL20359504 1.00 BTK (0.41) BTKIRAK4NTRK1MAP4K1
SCHEMBL20359173 0.90 BTK (0.41) BTK
SCHEMBL20358435 0.89 BTK (0.48) BTK
SCHEMBL20359898 0.89 BTK (0.40) BTK
SCHEMBL20358455 0.88 BTK (0.39) BTK
SCHEMBL20359734 0.85 BTK (0.46) BTK
SCHEMBL20359134 0.85 BTK (0.46) BTK
SCHEMBL20359422 0.85 BTK (0.53) BTK
SCHEMBL20358984 0.85 BTK (0.53) BTK
SCHEMBL20358688 0.85 BTK (0.41) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — 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 (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-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LCK BTK 1/4885IRAK4 33/4885NTRK1 1737/4885

“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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