SCHEMBL20358904

SCHEMBL20358904

C=CC(=O)N1C[C@H](Nc2n[nH]c3nccc(-c4ccc(CNC(=O)c5cc(C(C)(C)C)on5)c(F)c4)c23)CC[C@@H]1C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.48
▸ JAK3 P52333 6/20 0.39
▸ JAK1 P23458 1/20 0.38
▸ TEC P42680 1/20 0.38
▸ TXK P42681 1/20 0.38
▸ BLK P51451 1/20 0.38
▸ BMX P51813 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ ERBB4 Q15303 1/20 0.38
▸ LCK P06239 1/20 0.38

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
SCHEMBL20359271 0.91 BTK (0.49) BTKLCK
SCHEMBL20359523 0.91 BTK (0.49) BTKLCK
SCHEMBL20359783 0.90 BTK (0.54) BTKJAK3LCK
SCHEMBL20358734 0.89 BTK (0.55) BTKJAK3LCK
SCHEMBL20358999 0.87 BTK (0.44) BTKLCK
SCHEMBL20359718 0.86 BTK (0.46) BTKJAK3LCK
SCHEMBL20358364 0.86 BTK (0.54) BTKLCK
SCHEMBL20358365 0.86 BTK (0.54) BTKLCK
SCHEMBL20358411 0.85 BTK (0.53) BTKLCK
SCHEMBL20359772 0.84 BTK (0.55) BTKLCK

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 BTK 1/4885JAK3 16/4885JAK1 13/4885

“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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