SCHEMBL1682507

SCHEMBL1682507

N#Cc1cnn(-c2ccc(O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GAA P10253 1/20 0.46
MELK Q14680 1/20 0.43
MMP3 P08254 1/20 0.42
NOTUM Q6P988 1/20 0.41
DRD4 P21917 1/20 0.39
HTR2C P28335 1/20 0.39
MAPT P10636 1/20 0.38
CYP19A1 P11511 1/20 0.38
GCGR P47871 1/20 0.38
GRM5 P41594 1/20 0.37
SCN9A Q15858 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
HPGDS O60760 1/20 0.35
ALKBH2 Q6NS38 1/20 0.35

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
SCHEMBL28241532 0.82 MAOB (0.39) GAANOTUMCYP19A1GCGRGRM5
SCHEMBL23402273 0.82 GAA (0.59) CA12CA2CA3CA6CA9
SCHEMBL2214866 0.81 GAA (0.53) GAADRD4MAPTGRM5HPGDS
SCHEMBL21753313 0.81 NOTUM (0.48) GAANOTUMCYP19A1GCGRSCN9A
SCHEMBL21525502 0.80 HPGDS (0.53) GCGRHPGDSALKBH2
SCHEMBL21753378 0.78 ALDH1A1 (0.47) NOTUMGCGRGRM5SCN9A
SCHEMBL21753342 0.78 CYP19A1 (0.40) NOTUMCYP19A1GCGRGRM5SCN9A
SCHEMBL31734517 0.78 KIF11 (0.47) NOTUMMAPTCYP19A1GCGRGRM5
SCHEMBL11901011 0.78 MAPKAPK2 (0.52) MAPTCYP19A1GCGRSCN9AHPGDS
SCHEMBL12988969 0.78 AR (0.40) CYP19A1GRM5

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
EP-2673260-B1 GLUCAGON RECEPTOR MODULATOR PFIZER (US) 2016-08-17 EP disclosed
CN-103370306-B Glucagon Receptor Modulators PFIZER INC. (US) 2015-12-02 CN disclosed
US-8507533-B2 Glucagon receptor modulators PFIZER INC. (US) 2013-08-13 US disclosed
US-8507533-B2 Glucagon receptor modulators PFIZER INC. (US) 2013-08-13 US disclosed
WO-2012137982-A9 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-14 WO disclosed
WO-2012137982-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-11 WO disclosed
WO-2012107850-A1 GLUCAGON RECEPTOR MODULATOR PFIZER INC. (US) 2012-08-16 WO disclosed
EP-2486018-A1 SUBSTITUTED PYRAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2012-08-15 EP disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 US disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 US disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 US disclosed
WO-2011042475-A1 SUBSTITUTED PYRAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO 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-20160362392-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 CA12 2808/4885CA2 1259/4885CA3 2787/4885
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 CA12 2808/4885CA2 1259/4885CA3 2787/4885

“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.