SCHEMBL20359165

SCHEMBL20359165

CC(C)(C)c1nc(C(=O)Nc2cccc(-c3ccnc4[nH]nc(NC5CCNC5)c34)c2)no1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.39
▸ CHEK1 O14757 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ PRKCI P41743 5/20 0.36
▸ CD69 Q07108 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK3 P27361 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34

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
SCHEMBL20360392 1.00 BTK (0.39) BTKCHEK1FYNPRKCICD69
SCHEMBL20358591 0.85 BTK (0.40) BTKPRKCIMAPK1
SCHEMBL20358589 0.85 BTK (0.40) BTKPRKCIMAPK1
SCHEMBL20358442 0.85 BRD4 (0.37) BTKPRKCIMAPK1
SCHEMBL20358743 0.85 BRD4 (0.37) BTKPRKCIMAPK1
SCHEMBL20358564 0.85 BTK (0.46) BTKCHEK1FYNPRKCISYK
SCHEMBL20359190 0.85 BTK (0.46) BTKCHEK1FYNPRKCISYK
SCHEMBL20358271 0.84 EGFR (0.41) BTK
SCHEMBL20359496 0.84 BTK (0.39) BTKPRKCICD69CYP3A4CYP2C9
SCHEMBL20358340 0.84 BTK (0.51) BTKPRKCIMAPK1

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-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

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 1/4885CHEK1 414/4885FYN 20/4885

“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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