SCHEMBL21572170

SCHEMBL21572170

Cc1cc2cc(C(=O)/C(C#N)=C/N(C)C)n(SI)c2cc1N1CCC(N2CCOCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ JAK3 P52333 1/20 0.31

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
SCHEMBL20084284 0.92 ALDH1A1 (0.33) HPGD
SCHEMBL18332131 0.82 ALOX5 (0.36) KITKDRALKHPGD
SCHEMBL20085209 0.79 HPGD (0.39) NPC1RAB9AHPGD
SCHEMBL20084030 0.79 HPGD (0.31) RAB9AHPGD
SCHEMBL21572151 0.77 HPGD (0.30) HPGD
SCHEMBL21572175 0.77 HPGD (0.31) HPGD
SCHEMBL20084140 0.77 ALDH1A1 (0.34) HPGD
SCHEMBL21572157 0.76 HPGD (0.31) HPGD
SCHEMBL21572168 0.75 NPSR1 (0.37) NPC1RAB9AHPGD
SCHEMBL20084873 0.75 HPGD (0.36) NPC1RAB9AHPGD

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 KIT 1014/4885KDR 442/4885ALK 138/4885

“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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