SCHEMBL20358836

SCHEMBL20358836

C=CC(=O)N[C@@H]1CCN(c2n[nH]c3nccc(-c4ccc(C(C)NC(=O)c5cc(C(C)(C)O)on5)c(F)c4)c23)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.35
▸ JAK3 P52333 5/20 0.34
▸ PDE2A O00408 2/20 0.33
▸ ITGB2 P05107 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ ITGAL P20701 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ IDH1 O75874 2/20 0.32
▸ CDK13 Q14004 1/20 0.31
▸ CDK12 Q9NYV4 1/20 0.31

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
SCHEMBL20358834 1.00 BTK (0.35) BTKJAK3PDE2AITGB2ICAM1
SCHEMBL20359192 0.93 ITGB2 (0.38) BTKPDE2AITGB2ICAM1ITGAL
SCHEMBL20359195 0.93 ITGB2 (0.38) BTKPDE2AITGB2ICAM1ITGAL
SCHEMBL20359000 0.91 ACACB (0.37) JAK3PDE2AIDH1CDK13CDK12
SCHEMBL20358998 0.91 ACACB (0.37) JAK3PDE2AIDH1CDK13CDK12
SCHEMBL20359287 0.86 CDK13 (0.38) PDE2AIDH1CDK13CDK12
SCHEMBL20359286 0.86 CDK13 (0.38) PDE2AIDH1CDK13CDK12
SCHEMBL20358892 0.83 ACACB (0.39) PDE2AITGB2ICAM1ITGAL
SCHEMBL20358894 0.83 ACACB (0.39) PDE2AITGB2ICAM1ITGAL
SCHEMBL20358472 0.82 BTK (0.51) BTK

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 BTK 1/4885JAK3 16/4885PDE2A 1143/4885

“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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