SCHEMBL21572600

SCHEMBL21572600

CC(=O)Nc1cc2c(cc1F)cc(C(=O)C(C)C#N)n2SI

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL20085062 0.80 HDAC1 (0.31) HDAC1HDAC6CA1CA2CA9
SCHEMBL20084682 0.80 HDAC1 (0.31) HDAC1HDAC6CA1CA2CA9
SCHEMBL20085098 0.77 — —
SCHEMBL20084487 0.76 RAB9A (0.40) —
SCHEMBL20085013 0.75 NPC1 (0.31) —
SCHEMBL21970727 0.75 NOD1 (0.43) CA1CA2CA9
SCHEMBL20084989 0.75 HDAC1 (0.32) HDAC1HDAC6CA1CA2CA9
SCHEMBL20084628 0.73 HDAC1 (0.35) HDAC1HDAC6CA1CA2CA9
SCHEMBL21970607 0.68 HDAC1 (0.35) HDAC1HDAC6CA1CA2CA9
SCHEMBL21572169 0.66 — —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 — — 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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 HDAC1 396/4885HDAC6 480/4885CA1 4757/4885

“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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