SCHEMBL21572155

SCHEMBL21572155

CN(C)/C=C(\C#N)C(=O)c1cc2cc(NS(C)(=O)=O)c(F)cc2n1SI

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL21572143 0.97 RAB9A (0.37) RAB9ANPC1ALDH1A1L3MBTL1POLB
SCHEMBL21572131 0.90 HPGD (0.33) RAB9ANPC1ALDH1A1L3MBTL1MEN1
SCHEMBL21572154 0.89 RAB9A (0.36) RAB9ANPC1ALDH1A1L3MBTL1MEN1
SCHEMBL21572148 0.89 HPGD (0.34) RAB9ANPC1ALDH1A1L3MBTL1MEN1
SCHEMBL21572152 0.88 RAB9A (0.37) RAB9ANPC1ALDH1A1L3MBTL1MEN1
SCHEMBL21572145 0.88 RAB9A (0.34) RAB9ANPC1ALDH1A1L3MBTL1POLB
SCHEMBL20084271 0.87 RAB9A (0.37) RAB9ANPC1ALDH1A1L3MBTL1POLB
SCHEMBL20085114 0.85 RAB9A (0.39) RAB9ANPC1ALDH1A1L3MBTL1POLB
SCHEMBL20084333 0.85 RAB9A (0.39) RAB9ANPC1ALDH1A1L3MBTL1POLB
SCHEMBL21572142 0.84 RAB9A (0.33) RAB9ANPC1ALDH1A1

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 RAB9A 2990/4885NPC1 4566/4885ALDH1A1 1534/4885

“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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