SCHEMBL20358710

SCHEMBL20358710

CC(C)(C)c1nc(CNCc2ccc(-c3ccnc4[nH]nc(N[C@@H]5CCNC5)c34)cc2F)no1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.43
▸ LCK P06239 2/20 0.37
▸ HDAC4 P56524 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PRKCI P41743 3/20 0.34
▸ 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
SCHEMBL20358627 1.00 BTK (0.43) BTKLCKHDAC4HDAC6PRKCI
SCHEMBL20371826 0.86 PRKCI (0.34) BTKHDAC6PRKCIHRH4HRH3
SCHEMBL20359557 0.86 BTK (0.62) BTKLCKHDAC4HDAC6
SCHEMBL20358484 0.86 BTK (0.62) BTKLCKHDAC4HDAC6
SCHEMBL20359031 0.86 HDAC4 (0.45) BTKLCKHDAC4HDAC6HRH4
SCHEMBL20358931 0.86 HDAC4 (0.45) BTKLCKHDAC4HDAC6HRH4
SCHEMBL20360083 0.86 BTK (0.62) BTKLCKHDAC4HDAC6
SCHEMBL20359418 0.86 BTK (0.46) BTKLCKHDAC4HDAC6HRH4
Hydrochloric Acid SCHEMBL20358531 0.86 HDAC4 (0.44) BTKLCKHDAC4HDAC6HRH4
SCHEMBL20371828 0.86 BTK (0.43) 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 3 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 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 3/4885HDAC4 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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