SCHEMBL20359115

SCHEMBL20359115

C=CC(=O)N1CC[C@@H](Nc2n[nH]c3nccc(-c4ccc([C@H](C)NC(=O)c5ccc(C(C)(C)C)cc5)cc4)c23)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.52
▸ TEAD1 P28347 2/20 0.42
▸ BTK Q06187 6/20 0.40
▸ FGFR4 P22455 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.38
▸ EGFR P00533 1/20 0.37

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
SCHEMBL20359116 1.00 JAK3 (0.52) JAK3TEAD1BTKFGFR4NR1H4
SCHEMBL20358540 0.86 JAK3 (0.42) JAK3TEAD1BTKFGFR4EGFR
SCHEMBL20359303 0.86 JAK3 (0.42) JAK3TEAD1BTKFGFR4EGFR
SCHEMBL20358539 0.86 JAK3 (0.42) JAK3TEAD1BTKFGFR4EGFR
SCHEMBL20359145 0.83 BTK (0.43) JAK3BTKEGFR
SCHEMBL20359479 0.83 BTK (0.44) JAK3BTKEGFR
SCHEMBL20359211 0.83 BTK (0.44) JAK3BTKEGFR
SCHEMBL20359257 0.83 MAPK1 (0.42) JAK3NR1H4
SCHEMBL20359259 0.83 MAPK1 (0.42) JAK3NR1H4
SCHEMBL20358629 0.82 JAK3 (0.42) JAK3BTKFGFR4

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 4 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
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
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 JAK3 16/4885TEAD1 3537/4885BTK 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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