SCHEMBL10003351

SCHEMBL10003351

Cc1ccc(S(=O)(=O)n2c(C(=O)C(C#N)=CN(C)C)cc3ccc(-c4cc(C(F)(F)F)ccn4)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ SYK P43405 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 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
SCHEMBL10003349 1.00 RORC (0.36) RORCALOX5NOD2NOD1ABL1
SCHEMBL11931168 0.89 ALOX5 (0.36) RORCALOX5NOD2NOD1MAPT
SCHEMBL10003765 0.89 ALOX5 (0.36) RORCALOX5NOD2NOD1MAPT
SCHEMBL10003761 0.89 ALOX5 (0.36) RORCALOX5NOD2NOD1MAPT
SCHEMBL11931055 0.87 ALOX5 (0.42) ALOX5NOD2NOD1MAPTALDH1A1
SCHEMBL10003737 0.87 ALOX5 (0.42) ALOX5NOD2NOD1MAPTALDH1A1
SCHEMBL10003739 0.87 ALOX5 (0.42) ALOX5NOD2NOD1MAPTALDH1A1
SCHEMBL10004874 0.86 ALOX5 (0.39) RORCALOX5NOD2NOD1MAPT
SCHEMBL11930696 0.86 ALOX5 (0.39) RORCALOX5NOD2NOD1MAPT
SCHEMBL10004877 0.86 ALOX5 (0.39) RORCALOX5NOD2NOD1MAPT

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 10 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-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-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-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
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 RORC 2995/4885ALOX5 2600/4885NOD2 2641/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 RORC 3383/4885ALOX5 643/4885NOD2 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.

Send feedback