SCHEMBL20358892

SCHEMBL20358892

CC(=O)N[C@@H]1CCN(c2n[nH]c3nccc(-c4ccc([C@@H](C)NC(=O)c5cc(C(C)(C)O)on5)cc4)c23)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 16/20 0.39
▸ ITGB2 P05107 2/20 0.37
▸ ICAM1 P05362 2/20 0.37
▸ ITGAL P20701 2/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ PDE2A O00408 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
SCHEMBL20358894 1.00 ACACB (0.39) ACACBITGB2ICAM1ITGALAKT1
SCHEMBL20358684 0.96 LRRK2 (0.38) ACACBITGB2ICAM1ITGALPDE2A
SCHEMBL20358685 0.96 LRRK2 (0.38) ACACBITGB2ICAM1ITGALPDE2A
SCHEMBL20359000 0.93 ACACB (0.37) ACACBPDE2A
SCHEMBL20358998 0.93 ACACB (0.37) ACACBPDE2A
SCHEMBL20371799 0.92 ACACB (0.36) ACACBPDE2A
SCHEMBL20359192 0.90 ITGB2 (0.38) ACACBITGB2ICAM1ITGALAKT1
SCHEMBL20359195 0.90 ITGB2 (0.38) ACACBITGB2ICAM1ITGALAKT1
SCHEMBL20359287 0.88 CDK13 (0.38) ACACBPDE2A
SCHEMBL20359286 0.88 CDK13 (0.38) ACACBPDE2A

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 4 patents. 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 claimed
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
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
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 ACACB 2586/4885ITGB2 1777/4885ICAM1 3217/4885

“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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