SCHEMBL20359714

SCHEMBL20359714

CCC(=O)N1CCC(Nc2n[nH]c3nccc(-c4ccc(C5(NC(=O)c6noc(C(C)(C)C)n6)CC5)cc4)c23)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ BTK Q06187 5/20 0.36
▸ PIK3CD O00329 14/20 0.36
▸ PIK3R1 P27986 8/20 0.36
▸ PIK3CA P42336 3/20 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
SCHEMBL20358644 1.00 JAK2 (0.37) JAK2JAK3BTKPIK3CDPIK3R1
SCHEMBL20359820 0.91 JAK3 (0.38) JAK3BTK
SCHEMBL20358404 0.91 BTK (0.36) JAK3BTK
SCHEMBL20359122 0.91 JAK3 (0.38) JAK3BTK
SCHEMBL20359510 0.91 BTK (0.36) JAK3BTK
SCHEMBL20359428 0.89 BTK (0.35) BTK
SCHEMBL20359798 0.89 BTK (0.35) BTK
SCHEMBL20359186 0.88 JAK3 (0.39) JAK3BTK
SCHEMBL20359187 0.88 JAK3 (0.39) JAK3BTK
SCHEMBL20359112 0.87 JAK3 (0.42) JAK3BTK

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 1 patent. 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 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 JAK2 8/4885JAK3 16/4885BTK 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.

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