SCHEMBL18332173

SCHEMBL18332173

COC(=O)c1cc2cc(C)c(C3CCN(S(=O)(=O)C4CC4)CC3)cc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 3/20 0.43
▸ NOD1 Q9Y239 3/20 0.43
▸ ALOX5 P09917 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ USP5 P45974 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ POLB P06746 1/20 0.36

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 0.92 NOD2 (0.44) NOD2NOD1ALOX5PTGDR2KMT2A
SCHEMBL18331685 0.88 NOD2 (0.44) NOD2NOD1ALOX5PTGDR2KMT2A
SCHEMBL18331687 0.86 NOD2 (0.45) NOD2NOD1ALOX5LMNATSHR
SCHEMBL18332388 0.84 MMP13 (0.43) NOD2NOD1ALOX5KMT2AMEN1
SCHEMBL20584087 0.84 PTGDR2 (0.38) NOD2NOD1ALOX5PTGDR2KMT2A
SCHEMBL18332169 0.80 ALOX5 (0.38) NOD2NOD1ALOX5PTGDR2KMT2A
SCHEMBL18332167 0.79 HRH3 (0.47) NOD2NOD1ALOX5PTGDR2ALDH1A1
SCHEMBL18332165 0.77 NOD2 (0.44) NOD2NOD1ALOX5PTGDR2ALDH1A1
SCHEMBL18332391 0.76 PTGDR2 (0.39) NOD2NOD1ALOX5PTGDR2MAPT
SCHEMBL18331914 0.76 NOD1 (0.53) NOD2NOD1ALOX5KMT2AMEN1

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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