SCHEMBL20359114

SCHEMBL20359114

COc1ccc(Cn2nc(N[C@@H]3CCN(C(=O)O)C3)c3c(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(F)c4)ccnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.44
▸ TP53 P04637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ EPHX2 P34913 2/20 0.38
▸ NR1H4 Q96RI1 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL20359117 1.00 BTK (0.44) BTKTP53RXFP1EPHX2NR1H4
SCHEMBL20359460 0.94 BTK (0.50) BTKTP53RXFP1EPHX2NR1H4
SCHEMBL20359784 0.94 BTK (0.49) BTKTP53RXFP1
SCHEMBL20365214 0.94 BTK (0.43) BTKTP53RXFP1EPHX2NR1H4
SCHEMBL20359462 0.94 BTK (0.50) BTKTP53RXFP1EPHX2NR1H4
SCHEMBL20359782 0.94 BTK (0.49) BTKTP53RXFP1
SCHEMBL20359710 0.90 ABCB1 (0.38) TP53NPC1RAB9AALDH1A1
SCHEMBL20359707 0.90 ABCB1 (0.38) TP53NPC1RAB9AALDH1A1
SCHEMBL20359552 0.90 BTK (0.39) BTK
SCHEMBL20359551 0.90 BTK (0.39) 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 1/4885TP53 907/4885RXFP1 4668/4885

“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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