SCHEMBL20359781

SCHEMBL20359781

CC(=O)N[C@@H]1CCN(c2n[nH]c3nccc(-c4ccc(CNC(=O)c5nc6c(s5)CCCC6)c(F)c4)c23)C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.41
▸ GRIA1 P42261 3/20 0.36
▸ ROCK1 Q13464 1/20 0.35
▸ CDC42BPB Q9Y5S2 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 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
SCHEMBL20359864 0.93 BTK (0.42) BTK
SCHEMBL20359278 0.92 BTK (0.39) BTK
SCHEMBL20359420 0.90 BTK (0.40) BTK
SCHEMBL20359419 0.90 BTK (0.40) BTK
SCHEMBL20358924 0.87 BTK (0.42) BTKGRIA1
SCHEMBL20359173 0.82 BTK (0.41) BTKGRIA1
SCHEMBL20358448 0.81 BTK (0.42) BTKGRIA1
SCHEMBL20358443 0.81 BTK (0.48) BTKGRIA1
SCHEMBL20358769 0.81 BTK (0.42) BTKGRIA1ROCK1CDC42BPBIRAK4
SCHEMBL20358765 0.81 BTK (0.42) BTKGRIA1ROCK1CDC42BPBIRAK4

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 1/4885GRIA1 2830/4885ROCK1 1211/4885

“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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