SCHEMBL11931238

SCHEMBL11931238

Cc1ccc(S(=O)(=O)n2c(C(=O)/C(C#N)=C/N(C)C)cc3ccc(-c4cccnn4)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.40
▸ NOD1 Q9Y239 5/20 0.37
▸ NOD2 Q9HC29 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.34
▸ POLB P06746 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALDH3A1 P30838 1/20 0.31
▸ DHODH Q02127 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL10002833 1.00 ALOX5 (0.40) ALOX5NOD1NOD2ALDH1A1POLB
SCHEMBL10002832 1.00 ALOX5 (0.40) ALOX5NOD1NOD2ALDH1A1POLB
SCHEMBL10003737 0.89 ALOX5 (0.42) ALOX5NOD1NOD2ALDH1A1POLB
SCHEMBL11931055 0.89 ALOX5 (0.42) ALOX5NOD1NOD2ALDH1A1POLB
SCHEMBL10003739 0.89 ALOX5 (0.42) ALOX5NOD1NOD2ALDH1A1POLB
SCHEMBL10004877 0.86 ALOX5 (0.39) ALOX5NOD1NOD2ALDH1A1HPGD
SCHEMBL10004874 0.86 ALOX5 (0.39) ALOX5NOD1NOD2ALDH1A1HPGD
SCHEMBL11930696 0.86 ALOX5 (0.39) ALOX5NOD1NOD2ALDH1A1HPGD
SCHEMBL16188508 0.84 ALOX5 (0.46) ALOX5NOD1NOD2ALDH1A1HPGD
SCHEMBL10003556 0.84 ALOX5 (0.46) ALOX5NOD1NOD2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — 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 (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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 ALOX5 2600/4885NOD1 1738/4885NOD2 2641/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 ALOX5 643/4885NOD1 1110/4885NOD2 2443/4885

“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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