SCHEMBL20358591

SCHEMBL20358591

Cc1c(NC(=O)c2noc(C(C)(C)C)n2)cccc1-c1ccnc2[nH]nc(NC3CCNC3)c12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.40
▸ BRD4 O60885 2/20 0.34
▸ ATAD2 Q6PL18 2/20 0.34
▸ PRKCI P41743 3/20 0.33
▸ MAPK1 P28482 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
SCHEMBL20358589 1.00 BTK (0.40) BTKBRD4ATAD2PRKCIMAPK1
SCHEMBL20358442 0.91 BRD4 (0.37) BTKBRD4ATAD2PRKCIMAPK1
SCHEMBL20358743 0.91 BRD4 (0.37) BTKBRD4ATAD2PRKCIMAPK1
SCHEMBL20358340 0.91 BTK (0.51) BTKPRKCIMAPK1
SCHEMBL20359165 0.85 BTK (0.39) BTKPRKCIMAPK1
SCHEMBL20360392 0.85 BTK (0.39) BTKPRKCIMAPK1
SCHEMBL20359021 0.84 BTK (0.39) BTK
SCHEMBL20358771 0.84 BTK (0.39) BTK
SCHEMBL20359496 0.81 BTK (0.39) BTKBRD4ATAD2PRKCI
SCHEMBL20360073 0.80 BTK (0.46) 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 1/4885BRD4 83/4885ATAD2 1845/4885

“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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