SCHEMBL20358442

SCHEMBL20358442

Cc1c(-c2ccnc3[nH]nc(NC4CCNC4)c23)ccnc1NC(=O)c1noc(C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.37
▸ ATAD2 Q6PL18 2/20 0.37
▸ BTK Q06187 9/20 0.36
▸ PRKCI P41743 4/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ MAPK1 P28482 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32

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
SCHEMBL20358743 1.00 BRD4 (0.37) BRD4ATAD2BTKPRKCIHDAC4
SCHEMBL20358591 0.91 BTK (0.40) BRD4ATAD2BTKPRKCIMAPK1
SCHEMBL20358589 0.91 BTK (0.40) BRD4ATAD2BTKPRKCIMAPK1
SCHEMBL20360392 0.85 BTK (0.39) BTKPRKCIMAPK1
SCHEMBL20359165 0.85 BTK (0.39) BTKPRKCIMAPK1
SCHEMBL20358340 0.85 BTK (0.51) BTKPRKCIHDAC4HRH4HRH3
SCHEMBL20359496 0.83 BTK (0.39) BRD4ATAD2BTKPRKCIHDAC4
SCHEMBL20359109 0.83 JAK3 (0.39) BTK
SCHEMBL20360073 0.83 BTK (0.46) BTKHDAC4HRH4HRH3
SCHEMBL20358338 0.82 MAPK1 (0.40) BTKPRKCIHDAC4HRH4HRH3

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 BRD4 83/4885ATAD2 1845/4885BTK 1/4885

“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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