SCHEMBL20360073

SCHEMBL20360073

CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4[nH]nc(N[C@@H]5CCNC5)c34)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.46
▸ LCK P06239 1/20 0.39
▸ MAPK14 Q16539 1/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HRH4 Q9H3N8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CD69 Q07108 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL20359556 0.90 BTK (0.46) BTKLCKMAPK14HDAC4HRH4
SCHEMBL20359520 0.89 BTK (0.47) BTKLCKMAPK14HDAC4HRH4
SCHEMBL20358484 0.89 BTK (0.62) BTKLCKHDAC4HDAC6
SCHEMBL20360083 0.89 BTK (0.62) BTKLCKHDAC4HDAC6
SCHEMBL20359557 0.89 BTK (0.62) BTKLCKHDAC4HDAC6
SCHEMBL20359496 0.87 BTK (0.39) BTKLCKHDAC4HRH4HRH3
SCHEMBL20358338 0.86 MAPK1 (0.40) BTKLCKHDAC4HRH4HRH3
SCHEMBL20359691 0.86 MAPK1 (0.40) BTKLCKHDAC4HRH4HRH3
SCHEMBL20358339 0.86 MAPK1 (0.40) BTKLCKHDAC4HRH4HRH3
SCHEMBL20358669 0.85 BTK (0.37) BTKLCKHDAC4HRH4HRH3

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 1/4885LCK 3/4885MAPK14 699/4885

“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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