SCHEMBL20359570

SCHEMBL20359570

COc1ccc(Cn2nc(N3CCC(NC(=O)O)C3)c3c(-c4ccc(CN)c(F)c4)ccnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.41
▸ SMPD3 Q9NY59 8/20 0.39
▸ CNR1 P21554 3/20 0.37
▸ FAAH O00519 2/20 0.37
▸ ABHD6 Q9BV23 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ AOC3 Q16853 2/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34

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
SCHEMBL20359569 1.00 CNR2 (0.41) CNR2SMPD3CNR1FAAHABHD6
SCHEMBL20365220 0.91 CNR2 (0.41) CNR2SMPD3BTK
SCHEMBL20358723 0.82 BTK (0.40) CNR2BTK
SCHEMBL20358713 0.82 BTK (0.40) CNR2BTK
SCHEMBL20365226 0.82 TRPV1 (0.40) CNR2BTK
SCHEMBL20360088 0.82 MC4R (0.38) BTKAOC3
SCHEMBL20360092 0.82 MC4R (0.38) BTKAOC3
SCHEMBL20360087 0.82 CCR8 (0.34) FFAR4BTKMCHR1
SCHEMBL20360086 0.82 CCR8 (0.34) FFAR4BTKMCHR1
SCHEMBL20358961 0.81 CNR2 (0.48) CNR2SMPD3MCHR1HRH3CCNC

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 CNR2 1439/4885SMPD3 2143/4885CNR1 2119/4885

“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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