SCHEMBL20359287

SCHEMBL20359287

C=CC(=O)NC1CCN(c2n[nH]c3nccc(-c4ccc(C(C)NC(=O)c5cc(C(C)(C)O)on5)cc4)c23)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK13 Q14004 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38
▸ IDH1 O75874 2/20 0.37
▸ ACACB O00763 10/20 0.35
▸ TEAD1 P28347 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL20359286 1.00 CDK13 (0.38) CDK13CDK12IDH1ACACBTEAD1
SCHEMBL20358998 0.96 ACACB (0.37) CDK13CDK12IDH1ACACBPDE2A
SCHEMBL20359000 0.96 ACACB (0.37) CDK13CDK12IDH1ACACBPDE2A
SCHEMBL20358685 0.92 LRRK2 (0.38) ACACBPDE2AMAPK1
SCHEMBL20358684 0.92 LRRK2 (0.38) ACACBPDE2AMAPK1
SCHEMBL20358894 0.88 ACACB (0.39) ACACBPDE2A
SCHEMBL20358892 0.88 ACACB (0.39) ACACBPDE2A
SCHEMBL20371799 0.87 ACACB (0.36) ACACBPDE2A
SCHEMBL20358834 0.86 BTK (0.35) CDK13CDK12IDH1PDE2A
SCHEMBL20358836 0.86 BTK (0.35) CDK13CDK12IDH1PDE2A

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 CDK13 604/4885CDK12 631/4885IDH1 1739/4885

“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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