SCHEMBL11931005

SCHEMBL11931005

Cc1ccc(S(=O)(=O)n2c(C(=O)C(C#N)=CN(C)C)c(F)c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 3/20 0.43
▸ HTR6 P50406 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALOX5 P09917 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ UBE2N P61088 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 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
SCHEMBL10003826 1.00 AGTR1 (0.43) AGTR1HTR6ALDH1A1CYP3A4PSEN1
SCHEMBL10003823 1.00 AGTR1 (0.43) AGTR1HTR6ALDH1A1CYP3A4PSEN1
SCHEMBL10002868 0.78 ALOX5 (0.58) HTR6ALOX5KDM4EUBE2NHDAC1
SCHEMBL16792452 0.78 ALOX5 (0.58) AGTR1ALDH1A1CYP3A4ALOX5HPGD
SCHEMBL16792454 0.78 ALOX5 (0.58) AGTR1ALDH1A1CYP3A4ALOX5HPGD
SCHEMBL16792457 0.78 ALOX5 (0.58) AGTR1ALDH1A1CYP3A4ALOX5HPGD
SCHEMBL10002866 0.78 ALOX5 (0.58) HTR6ALOX5KDM4EUBE2NHDAC1
SCHEMBL10002818 0.77 AGTR1 (0.49) AGTR1HTR6ALDH1A1CYP3A4PSEN1
SCHEMBL20505521 0.77 AGTR1 (0.60) AGTR1HTR6ALDH1A1CYP3A4PSEN1
SCHEMBL10002719 0.77 ALOX5 (0.41) AGTR1HTR6ALDH1A1CYP3A4PSEN1

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 AGTR1 47/4885HTR6 2507/4885ALDH1A1 919/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 AGTR1 141/4885HTR6 1210/4885ALDH1A1 873/4885

“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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