SCHEMBL10002916

SCHEMBL10002916

CCOC(=O)c1cc2cc(C3CCN(C)CC3)ccc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 5/20 0.62
▸ NOD1 Q9Y239 5/20 0.62
▸ TSHR P16473 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP2C9 P11712 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ USP5 P45974 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL10004083 0.93 NOD2 (0.68) NOD2NOD1TSHRLMNAKDM4E
SCHEMBL10003304 0.90 NOD2 (0.59) NOD2NOD1TSHRLMNAKDM4E
SCHEMBL10003007 0.89 NOD2 (0.58) NOD2NOD1TSHRLMNAKDM4E
SCHEMBL10002989 0.89 NOD2 (0.62) NOD2NOD1TSHRLMNAKDM4E
SCHEMBL10003714 0.88 NOD2 (0.57) NOD2NOD1TSHRLMNAKDM4E
Hydrochloric Acid SCHEMBL10003338 0.88 NOD2 (0.61) NOD2NOD1TSHRLMNAKDM4E
SCHEMBL10003307 0.87 NOD2 (0.55) NOD2NOD1TSHRLMNAKDM4E
SCHEMBL11905000 0.84 NOD2 (0.56) NOD2NOD1TSHRLMNAKDM4E
SCHEMBL10003707 0.83 ALOX5 (0.41) NOD2NOD1L3MBTL1ALOX5USP5
SCHEMBL10004273 0.83 NOD2 (0.48) NOD2NOD1TSHRLMNAKDM4E

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 1738/4885TSHR 807/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 NOD2 2443/4885NOD1 1110/4885TSHR 1918/4885

“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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