SCHEMBL20359891

SCHEMBL20359891

COc1ccc(Cn2nc(N3CCC(N(C)C(=O)O)C3)c3c(-c4ccc(CN(C)C(=O)c5nc(C(C)(C)C)no5)c(F)c4)ccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.37
▸ CNR2 P34972 4/20 0.34
▸ LCK P06239 1/20 0.34
▸ MCHR1 Q99705 3/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ ELANE P08246 1/20 0.32
▸ PDE1B Q01064 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL20359888 1.00 BTK (0.37) BTKCNR2LCKMCHR1KCNH2
SCHEMBL20359566 0.94 BTK (0.38) BTKCNR2LCKMCHR1KCNH2
SCHEMBL20359889 0.89 BTK (0.38) BTKCNR2LCKMCHR1KCNH2
SCHEMBL20358719 0.83 PDE1B (0.36) BTKMCHR1KCNH2HTR2AELANE
SCHEMBL20358715 0.83 PDE1B (0.36) BTKMCHR1KCNH2HTR2AELANE
SCHEMBL20365228 0.78 AAK1 (0.38) BTKCNR2HTR2AELANEPDE1B
SCHEMBL20358535 0.77 BTK (0.47) BTKLCK
SCHEMBL20358538 0.77 BTK (0.47) BTKLCK
SCHEMBL20359334 0.77 BTK (0.43) BTKLCKKCNH2
SCHEMBL20359331 0.77 BTK (0.43) BTKLCKKCNH2

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 1/4885CNR2 1439/4885LCK 3/4885

“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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