SCHEMBL20358713

SCHEMBL20358713

COc1ccc(Cn2nc(N3CC[C@@H](NC(=O)O)C3)c3c(-c4ccc(CNC(=O)c5cc(C(C)(C)C#N)on5)c(F)c4)ccnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.40
▸ CNR2 P34972 1/20 0.36
▸ GPR6 P46095 1/20 0.34
▸ HSP90AA1 P07900 2/20 0.34
▸ HSP90AB1 P08238 2/20 0.34
▸ PDK1 Q15118 2/20 0.34
▸ LCK P06239 2/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL20358723 1.00 BTK (0.40) BTKCNR2GPR6HSP90AA1HSP90AB1
SCHEMBL20359569 0.82 CNR2 (0.41) BTKCNR2
SCHEMBL20359570 0.82 CNR2 (0.41) BTKCNR2
SCHEMBL20365226 0.80 TRPV1 (0.40) BTKCNR2
SCHEMBL20358505 0.78 BTK (0.46) BTKLCK
SCHEMBL20365220 0.78 CNR2 (0.41) BTKCNR2
SCHEMBL20359706 0.77 BTK (0.45) BTKLCK
SCHEMBL20359258 0.77 BTK (0.44) BTKLCK
SCHEMBL20358826 0.76 BTK (0.46) BTKLCKPOLB
SCHEMBL20358825 0.76 BTK (0.46) BTKLCKPOLB

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 1/4885CNR2 1439/4885GPR6 3328/4885

“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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