SCHEMBL4702995

SCHEMBL4702995

COc1ccnc(C)c1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
MAOA P21397 1/20 0.37
IKBKB O14920 1/20 0.36
PDE2A O00408 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DYRK1A Q13627 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL2657700 0.85 ENPP2 (0.39) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL29956241 0.81 ENPP2 (0.39) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL5039573 0.81 ENPP2 (0.39) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL29953746 0.79 ENPP2 (0.38) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL31016790 0.79 ENPP2 (0.38) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL16110848 0.75 CCR1 (0.38) CA2
SCHEMBL29954504 0.75 CCR1 (0.38) CA2
SCHEMBL29864602 0.74 GRM1 (0.34) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL8198856 0.74 KDM4E (0.45) MAOAPDE2APDE4APDE4BPDE4C
SCHEMBL176249 0.73 ALDH1A1 (0.47) ENPP2ORAI1ORAI2ORAI3MAOA

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
US-9663508-B2 Biaryl acyl-sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
US-9663508-B2 Biaryl acyl-sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP disclosed
US-20070213373-A1 Indazole derivatives as CRF antagonists COURNOYER RICHARD L 2007-09-13 US disclosed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
US-20040110815-A1 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC 2004-06-10 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 (3 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-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors SCN1A, SCN1B, SCN5A ENPP2 317/4885ORAI1 219/4885ORAI2 166/4885
US-20070213373-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, CRH ENPP2 2032/4885ORAI1 2711/4885ORAI2 2099/4885
US-20040110815-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, ARRB1 ENPP2 2036/4885ORAI1 2979/4885ORAI2 1988/4885

“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.