SCHEMBL10004273

SCHEMBL10004273

COC(=O)c1cc2ccc(C3CCN(C)CC3)cc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 4/20 0.48
▸ NOD1 Q9Y239 4/20 0.48
▸ ALOX5 P09917 1/20 0.44
▸ HTR6 P50406 3/20 0.41
▸ USP5 P45974 1/20 0.41
▸ DRD3 P35462 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ QDPR P09417 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37

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
SCHEMBL10002846 0.93 NOD1 (0.53) NOD2NOD1ALOX5USP5TSHR
SCHEMBL10002800 0.83 ALOX5 (0.41) NOD2NOD1ALOX5HTR6USP5
SCHEMBL10002916 0.83 NOD2 (0.62) NOD2NOD1ALOX5HTR6USP5
SCHEMBL10002626 0.82 NOD1 (0.61) NOD2NOD1ALOX5TSHRKDM4E
SCHEMBL10003747 0.79 ALOX5 (0.42) NOD2NOD1ALOX5HTR6USP5
SCHEMBL10003751 0.79 ALOX5 (0.42) NOD2NOD1ALOX5HTR6USP5
SCHEMBL16188500 0.79 ALOX5 (0.42) NOD2NOD1ALOX5HTR6USP5
SCHEMBL10002821 0.78 NOD1 (0.57) NOD2NOD1ALOX5TSHRKDM4E
SCHEMBL10003676 0.77 NOD1 (0.56) NOD2NOD1ALOX5HTR6TSHR
SCHEMBL14627380 0.76 NOD1 (0.78) NOD2NOD1ALOX5LMNA

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 14 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-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-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-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
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 NOD2 2641/4885NOD1 1738/4885ALOX5 2600/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 NOD2 2443/4885NOD1 1110/4885ALOX5 643/4885

“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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