SCHEMBL10003714

SCHEMBL10003714

CCOC(=O)c1cc2cc(C3CCN(C4CCCCC4)CC3)ccc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 4/20 0.57
▸ NOD1 Q9Y239 4/20 0.57
▸ ALDH1A1 P00352 7/20 0.49
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 4/20 0.43
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ OGFRL1 Q5TC84 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL10003007 0.99 NOD2 (0.58) NOD2NOD1ALDH1A1POLBKMT2A
SCHEMBL10004083 0.89 NOD2 (0.68) NOD2NOD1ALDH1A1KMT2AKDM4E
SCHEMBL10002916 0.88 NOD2 (0.62) NOD2NOD1ALDH1A1KMT2AKDM4E
SCHEMBL10003304 0.86 NOD2 (0.59) NOD2NOD1ALDH1A1KMT2AKDM4E
SCHEMBL10002989 0.85 NOD2 (0.62) NOD2NOD1ALDH1A1POLBKMT2A
SCHEMBL10003099 0.85 ALOX5 (0.41) NOD2NOD1ALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL10003338 0.84 NOD2 (0.61) NOD2NOD1ALDH1A1POLBKMT2A
SCHEMBL11905830 0.84 ALOX5 (0.41) NOD2NOD1ALDH1A1POLBKDM4E
SCHEMBL10003307 0.83 NOD2 (0.55) NOD2NOD1ALDH1A1POLBKMT2A
SCHEMBL10004589 0.79 ALOX5 (0.41) NOD2NOD1ALDH1A1KDM4EALOX5

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 1738/4885ALDH1A1 919/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 NOD2 2443/4885NOD1 1110/4885ALDH1A1 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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