SCHEMBL10003855

SCHEMBL10003855

Cc1ccc(S(=O)(=O)n2c(C(=O)/C(C#N)=C/N(C)C)cc3c(F)cc(Br)cc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NOD2 Q9HC29 2/20 0.33
▸ NOD1 Q9Y239 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 3/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ LMNA P02545 2/20 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
SCHEMBL10003858 1.00 NPSR1 (0.37) NPSR1ALOX5PTGDR2RAB9ANPC1
SCHEMBL10004216 0.91 POLB (0.38) NPSR1ALOX5PTGDR2RAB9ANPC1
SCHEMBL10004208 0.91 POLB (0.38) NPSR1ALOX5PTGDR2RAB9ANPC1
SCHEMBL10003003 0.84 ALOX5 (0.43) NPSR1ALOX5NOD2NOD1ALDH1A1
SCHEMBL10003002 0.84 ALOX5 (0.43) NPSR1ALOX5NOD2NOD1ALDH1A1
SCHEMBL10003329 0.84 ALOX5 (0.39) NPSR1ALOX5PTGDR2RAB9ANPC1
SCHEMBL10003582 0.84 ALOX5 (0.39) NPSR1ALOX5PTGDR2RAB9ANPC1
SCHEMBL10003580 0.84 ALOX5 (0.39) NPSR1ALOX5PTGDR2RAB9ANPC1
SCHEMBL10003334 0.84 ALOX5 (0.39) NPSR1ALOX5PTGDR2RAB9ANPC1
SCHEMBL10003655 0.82 ALOX5 (0.43) NPSR1ALOX5NOD2NOD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 — — EP disclosed
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
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 — — EP 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 NPSR1 1710/4885ALOX5 2600/4885PTGDR2 1849/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 NPSR1 2432/4885ALOX5 643/4885PTGDR2 1382/4885

“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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