SCHEMBL20358339

SCHEMBL20358339

CC(NC(=O)c1noc(C(C)(C)C)n1)c1ccc(-c2ccnc3[nH]nc(N[C@@H]4CCNC4)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.40
▸ BTK Q06187 10/20 0.39
▸ HDAC4 P56524 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.34
▸ LCK P06239 1/20 0.33
▸ PRKCI P41743 3/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL20359691 1.00 MAPK1 (0.40) MAPK1BTKHDAC4HDAC6LCK
SCHEMBL20358338 1.00 MAPK1 (0.40) MAPK1BTKHDAC4HDAC6LCK
SCHEMBL20359755 0.90 BTK (0.45) MAPK1BTKHDAC4HDAC6LCK
SCHEMBL20359756 0.90 BTK (0.45) MAPK1BTKHDAC4HDAC6LCK
SCHEMBL20359758 0.90 BTK (0.45) MAPK1BTKHDAC4HDAC6LCK
SCHEMBL20359496 0.87 BTK (0.39) BTKHDAC4HDAC6LCKPRKCI
SCHEMBL20360073 0.86 BTK (0.46) BTKHDAC4HDAC6LCKHRH4
SCHEMBL20359558 0.85 BTK (0.37) BTKLCK
SCHEMBL20359022 0.85 BTK (0.37) BTKLCK
SCHEMBL20359023 0.85 BTK (0.37) 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 MAPK1 558/4885BTK 1/4885HDAC4 2054/4885

“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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