SCHEMBL20359496

SCHEMBL20359496

CC(C)(C)c1nc(C(=O)NC(C)(C)c2ccc(-c3ccnc4[nH]nc(N[C@@H]5CCNC5)c34)cc2)no1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.39
▸ HDAC4 P56524 4/20 0.38
▸ PRKCI P41743 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ ATAD2 Q6PL18 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ CD69 Q07108 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL20360073 0.87 BTK (0.46) BTKHDAC4HDAC6HRH4HRH3
SCHEMBL20358338 0.87 MAPK1 (0.40) BTKHDAC4PRKCIHDAC6HRH4
SCHEMBL20358339 0.87 MAPK1 (0.40) BTKHDAC4PRKCIHDAC6HRH4
SCHEMBL20359691 0.87 MAPK1 (0.40) BTKHDAC4PRKCIHDAC6HRH4
SCHEMBL20358671 0.86 BTK (0.37) BTKHDAC4PRKCIHDAC6HRH4
SCHEMBL20358669 0.86 BTK (0.37) BTKHDAC4PRKCIHDAC6HRH4
SCHEMBL20360392 0.84 BTK (0.39) BTKPRKCISYKCD69CYP3A4
SCHEMBL20359165 0.84 BTK (0.39) BTKPRKCISYKCD69CYP3A4
SCHEMBL20358560 0.84 JAK3 (0.40) BTK
SCHEMBL20358743 0.83 BRD4 (0.37) BTKHDAC4PRKCIHRH4HRH3

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 1/4885HDAC4 2054/4885PRKCI 262/4885

“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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