SCHEMBL20358961

SCHEMBL20358961

COc1ccc(Cn2nc(N3CCC(NC(=O)O)C3)c3c(Cl)ccnc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.48
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMPD3 Q9NY59 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ CACNA2D1 P54289 1/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ HRH3 Q9Y5N1 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
SCHEMBL20359070 1.00 CNR2 (0.48) CNR2CCNCCDK8SIGMAR1POLB
SCHEMBL20359467 0.93 CNR2 (0.56) CNR2CCNCCDK8POLBLMNA
SCHEMBL20359466 0.93 CNR2 (0.56) CNR2CCNCCDK8POLBLMNA
SCHEMBL20365247 0.91 CNR2 (0.46) CNR2CCNCCDK8SIGMAR1POLB
SCHEMBL20365221 0.89 CNR2 (0.49) CNR2
SCHEMBL20365241 0.85 TGM2 (0.46) CNR2SIGMAR1POLBLMNARXFP1
SCHEMBL20360020 0.84 CNR2 (0.40) CNR2SIGMAR1POLBLMNARXFP1
SCHEMBL20360022 0.84 CNR2 (0.40) CNR2SIGMAR1POLBLMNARXFP1
SCHEMBL20365246 0.84 CNR2 (0.43) CNR2SIGMAR1POLBLMNARXFP1
SCHEMBL20359332 0.84 PDE1B (0.40) CNR2KDM4EALDH1A1PTGDR2MCHR1

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 1439/4885CCNC 1017/4885CDK8 437/4885

“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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