SCHEMBL18331685

SCHEMBL18331685

COC(=O)c1cc2cc(C)c(C3CCN(C(C)=O)CC3)cc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 4/20 0.44
▸ NOD1 Q9Y239 4/20 0.44
▸ ALOX5 P09917 1/20 0.42
▸ SOS1 Q07889 2/20 0.39
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ REV1 Q9UBZ9 1/20 0.35
▸ SLC9A1 P19634 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL18332392 0.89 NOD2 (0.44) NOD2NOD1ALOX5TSHRMAPK1
SCHEMBL18332388 0.89 MMP13 (0.43) NOD2NOD1ALOX5KMT2AMEN1
SCHEMBL18332173 0.88 NOD2 (0.43) NOD2NOD1ALOX5TSHRMAPK1
SCHEMBL18331687 0.87 NOD2 (0.45) NOD2NOD1ALOX5TSHRMAPK1
SCHEMBL18331686 0.84 ALOX5 (0.40) NOD2NOD1ALOX5SOS1KDM4E
SCHEMBL18332161 0.80 GPR119 (0.47) NOD2NOD1KMT2A
SCHEMBL18331684 0.80 ALOX5 (0.40) NOD2NOD1ALOX5SOS1KMT2A
SCHEMBL18332167 0.79 HRH3 (0.47) NOD2NOD1ALOX5TSHRMAPK1
SCHEMBL18332165 0.78 NOD2 (0.44) NOD2NOD1ALOX5TSHRMAPK1
SCHEMBL18331912 0.77 NOD1 (0.53) NOD2NOD1ALOX5TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312172-B1 AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-05-06 — — EP disclosed
US-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 — — US disclosed
US-20180362509-A1 AMINOPYRAZOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-12-20 — — US disclosed
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 — — EP disclosed
WO-2016204261-A1 AMINOPYRAZOLE DERIVATIVES 中外製薬株式会社 2016-12-22 — — WO 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 (2 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 NOD2 2986/4885NOD1 2710/4885ALOX5 3139/4885
US-20180362509-A1 AMINOPYRAZOLE DERIVATIVES SRC, GRK2, GRK3 NOD2 2986/4885NOD1 2710/4885ALOX5 3139/4885

“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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