SCHEMBL20358385

SCHEMBL20358385

CCc1cc(N(C=O)Cc2ccc(-c3ccnc4[nH]nc(N[C@@H]5CCCN(C(=O)N(C)C)[C@@H]5C)c34)cc2F)no1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 5/20 0.34
▸ HCRTR2 O43614 4/20 0.34
▸ BTK Q06187 1/20 0.32
▸ JAK3 P52333 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
SCHEMBL20358842 0.87 BTK (0.39) HCRTR1HCRTR2BTK
SCHEMBL20358386 0.86 BTK (0.39) HCRTR1HCRTR2BTK
SCHEMBL20359588 0.81 JAK3 (0.39) BTKJAK3
SCHEMBL20358503 0.81 BTK (0.38) BTK
SCHEMBL20358828 0.80 BTK (0.39) HCRTR1HCRTR2BTK
SCHEMBL20359269 0.79 BTK (0.35) BTKJAK3
SCHEMBL20359916 0.78 BTK (0.40) HCRTR1HCRTR2BTK
SCHEMBL20358816 0.78 BTK (0.44) BTK
SCHEMBL20358845 0.78 BTK (0.56) BTK
SCHEMBL20358772 0.78 BTK (0.43) BTK

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 HCRTR1 4763/4885HCRTR2 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.

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