SCHEMBL20358405

SCHEMBL20358405

CC(NC(=O)c1cc(C(C)(C)O)on1)c1ccc(-c2ccnc3[nH]nc(N[C@@H]4CC[C@H](C)N(C(=O)N(C)C)C4)c23)cc1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.33
▸ HCRTR2 O43614 6/20 0.33
▸ BTK Q06187 2/20 0.32
▸ MET P08581 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 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
SCHEMBL20358399 1.00 PDE2A (0.33) PDE2AHCRTR2BTKMETAXL
SCHEMBL20358999 0.88 BTK (0.44) BTK
SCHEMBL20358870 0.88 BTK (0.41) BTK
SCHEMBL20358873 0.88 BTK (0.41) BTK
SCHEMBL20359347 0.87 BTK (0.40) BTK
SCHEMBL20359346 0.87 BTK (0.40) BTK
SCHEMBL20359271 0.83 BTK (0.49) BTK
SCHEMBL20358392 0.78 BTK (0.42) BTK
SCHEMBL20358389 0.78 BTK (0.42) BTK
SCHEMBL20359192 0.78 ITGB2 (0.38) PDE2ABTK

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 PDE2A 1143/4885HCRTR2 4690/4885BTK 1/4885

“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.

Send feedback