SCHEMBL20358769

SCHEMBL20358769

CC(=O)NC1CCN(c2n[nH]c3nccc(-c4ccc(CN)c(F)c4)c23)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.42
▸ GRIA1 P42261 3/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ LRRK2 Q5S007 2/20 0.41
▸ STK4 Q13043 1/20 0.41
▸ STK3 Q13188 1/20 0.41
▸ ITGB2 P05107 2/20 0.40
▸ ICAM1 P05362 2/20 0.40
▸ ITGAL P20701 2/20 0.40
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ SMPD3 Q9NY59 4/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ CDC42BPB Q9Y5S2 1/20 0.39
▸ MLNR O43193 1/20 0.38

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
SCHEMBL20358765 1.00 BTK (0.42) BTKGRIA1AKT1LRRK2STK4
SCHEMBL20359716 0.91 BTK (0.41) BTKGRIA1AKT1IRAK4MLNR
SCHEMBL20359712 0.91 BTK (0.41) BTKGRIA1AKT1IRAK4MLNR
SCHEMBL20358790 0.82 BTK (0.45) BTKGRIA1
SCHEMBL20359648 0.82 BTK (0.45) BTKGRIA1
SCHEMBL20358625 0.82 BTK (0.47) BTK
SCHEMBL20358443 0.82 BTK (0.48) BTKGRIA1ITGB2ICAM1ITGAL
SCHEMBL20358448 0.82 BTK (0.42) BTKGRIA1
SCHEMBL20358496 0.82 BTK (0.41) BTKGRIA1ITGB2ICAM1ITGAL
SCHEMBL20358622 0.82 BTK (0.47) 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 1/4885GRIA1 2830/4885AKT1 781/4885

“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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