SCHEMBL11929892

SCHEMBL11929892

Cc1ccc(S(=O)(=O)n2c(C(=O)C(C#N)=CN(C)C)cc3cc(C4CCN(C(C)C)CC4)c(C(F)(F)F)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.38
▸ ALOX5 P09917 1/20 0.36
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ SLC9A1 P19634 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ F10 P00742 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
SCHEMBL10004907 1.00 HRH3 (0.38) HRH3ALOX5FGFR1FGFR2FGFR3
SCHEMBL10004905 1.00 HRH3 (0.38) HRH3ALOX5FGFR1FGFR2FGFR3
SCHEMBL10003201 0.91 HRH3 (0.39) HRH3ALOX5PTGDR2LMNAGAA
SCHEMBL11931671 0.91 HRH3 (0.39) HRH3ALOX5PTGDR2LMNAGAA
SCHEMBL10003199 0.91 HRH3 (0.39) HRH3ALOX5PTGDR2LMNAGAA
SCHEMBL18332221 0.89 HRH3 (0.39) HRH3ALOX5PTGDR2LMNAGAA
SCHEMBL11929891 0.85 ALOX5 (0.40) HRH3ALOX5LMNAGAANOD2
SCHEMBL10003494 0.85 ALOX5 (0.40) HRH3ALOX5LMNAGAANOD2
SCHEMBL10003492 0.85 ALOX5 (0.40) HRH3ALOX5LMNAGAANOD2
SCHEMBL10003016 0.84 HRH3 (0.40) HRH3ALOX5FGFR1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 HRH3 76/4885ALOX5 2600/4885FGFR1 1/4885

“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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