SCHEMBL20359756

SCHEMBL20359756

CC(NC(=O)c1noc(C(C)(C)C)n1)c1ccc(-c2ccnc3[nH]nc(N[C@@H]4CCNC4)c23)cc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.45
▸ HDAC4 P56524 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ MAPK1 P28482 1/20 0.35
▸ PRKCI P41743 3/20 0.34
▸ BDKRB1 P46663 2/20 0.33
▸ SYK P43405 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
SCHEMBL20359755 1.00 BTK (0.45) BTKHDAC4HDAC6LCKMAPK1
SCHEMBL20359758 1.00 BTK (0.45) BTKHDAC4HDAC6LCKMAPK1
SCHEMBL20359691 0.90 MAPK1 (0.40) BTKHDAC4HDAC6LCKMAPK1
SCHEMBL20358338 0.90 MAPK1 (0.40) BTKHDAC4HDAC6LCKMAPK1
SCHEMBL20358339 0.90 MAPK1 (0.40) BTKHDAC4HDAC6LCKMAPK1
SCHEMBL20359557 0.86 BTK (0.62) BTKHDAC4HDAC6LCK
SCHEMBL20358484 0.86 BTK (0.62) BTKHDAC4HDAC6LCK
SCHEMBL20360083 0.86 BTK (0.62) BTKHDAC4HDAC6LCK
SCHEMBL20358389 0.86 BTK (0.42) BTKHDAC4HDAC6LCKBDKRB1
SCHEMBL20358392 0.86 BTK (0.42) BTKHDAC4HDAC6LCKBDKRB1

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 BTK 1/4885HDAC4 2054/4885HDAC6 1536/4885

“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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