SCHEMBL20358931

SCHEMBL20358931

CC(C)(C)c1nc(CNC(=O)c2ccc(-c3ccnc4[nH]nc(NC5CCNC5)c34)cc2F)no1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ BTK Q06187 13/20 0.45
▸ LCK P06239 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ AKT1 P31749 2/20 0.34

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
SCHEMBL20359031 1.00 HDAC4 (0.45) HDAC4HDAC6BTKLCKMAPK1
Hydrochloric Acid SCHEMBL20358531 0.99 HDAC4 (0.44) HDAC4HDAC6BTKLCKMAPK1
SCHEMBL20360083 0.86 BTK (0.62) HDAC4HDAC6BTKLCK
SCHEMBL20359557 0.86 BTK (0.62) HDAC4HDAC6BTKLCK
SCHEMBL20358484 0.86 BTK (0.62) HDAC4HDAC6BTKLCK
SCHEMBL20358627 0.86 BTK (0.43) HDAC4HDAC6BTKLCKHRH4
SCHEMBL20358710 0.86 BTK (0.43) HDAC4HDAC6BTKLCKHRH4
SCHEMBL20359056 0.85 BTK (0.41) BTKLCKMAPK1
SCHEMBL20359366 0.85 BTK (0.41) BTKLCKMAPK1
SCHEMBL20359239 0.83 BTK (0.61) 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 2 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

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 HDAC4 2054/4885HDAC6 1536/4885BTK 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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