SCHEMBL20359000

SCHEMBL20359000

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 12/20 0.37
▸ JAK3 P52333 5/20 0.36
▸ CDK13 Q14004 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ IDH1 O75874 1/20 0.35
▸ PDE2A O00408 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
SCHEMBL20358998 1.00 ACACB (0.37) ACACBJAK3CDK13CDK12IDH1
SCHEMBL20359287 0.96 CDK13 (0.38) ACACBCDK13CDK12IDH1PDE2A
SCHEMBL20359286 0.96 CDK13 (0.38) ACACBCDK13CDK12IDH1PDE2A
SCHEMBL20358892 0.93 ACACB (0.39) ACACBPDE2A
SCHEMBL20358894 0.93 ACACB (0.39) ACACBPDE2A
SCHEMBL20358836 0.91 BTK (0.35) JAK3CDK13CDK12IDH1PDE2A
SCHEMBL20358834 0.91 BTK (0.35) JAK3CDK13CDK12IDH1PDE2A
SCHEMBL20371799 0.90 ACACB (0.36) ACACBPDE2A
SCHEMBL20358685 0.89 LRRK2 (0.38) ACACBPDE2A
SCHEMBL20358684 0.89 LRRK2 (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 2 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

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 2586/4885JAK3 16/4885CDK13 604/4885

“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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