SCHEMBL20358683

SCHEMBL20358683

Cc1ccc(C(=O)NCc2ccc(-c3ccnc4[nH]nc(N[C@@H]5CCNC5)c34)cc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.44
▸ PRKCI P41743 1/20 0.39
▸ BRD4 O60885 2/20 0.37
▸ ATAD2 Q6PL18 2/20 0.37
▸ BCL9 O00512 2/20 0.37
▸ CTNNB1 P35222 2/20 0.37
▸ ROCK2 O75116 1/20 0.36

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
SCHEMBL20359729 1.00 BTK (0.44) BTKPRKCIBRD4ATAD2BCL9
SCHEMBL20358465 0.93 BTK (0.49) BTK
SCHEMBL20358398 0.93 BTK (0.49) BTK
SCHEMBL20358682 0.93 BTK (0.49) BTK
SCHEMBL20358642 0.92 BTK (0.40) BTKPRKCIROCK2
SCHEMBL20358646 0.92 BTK (0.40) BTKPRKCIROCK2
SCHEMBL20359143 0.92 BTK (0.43) BTKPRKCIROCK2
SCHEMBL20358722 0.88 BTK (0.50) BTK
SCHEMBL20359066 0.87 BTK (0.44) BTK
SCHEMBL20358925 0.87 BTK (0.44) 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 4 patents. 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 claimed
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
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
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 1/4885PRKCI 262/4885BRD4 83/4885

“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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