SCHEMBL1128949

SCHEMBL1128949

Cc1nc(-n2cncn2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.40
FBP1 P09467 1/20 0.40
PKM P14618 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 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
SCHEMBL10120651 0.76 KDM4E (0.40) KDM4EPOLBKMT2AMAPTALDH1A1
SCHEMBL14754079 0.73 POLB (0.59) KDM4EPOLBKMT2APKMMAPT
SCHEMBL4764865 0.73 HPGD (0.51) KDM4EPOLBKMT2AFBP1PKM
SCHEMBL29495158 0.73 MAPT (0.44) KDM4EMAPTALDH1A1TDP1
SCHEMBL1056459 0.73 KDM4E (0.39) KDM4EPOLBKMT2AMAPTALDH1A1
SCHEMBL3372137 0.73 GRIN1 (0.39) KDM4EPOLBKMT2AMAPTALDH1A1
SCHEMBL8426576 0.72 MAPT (0.52) KDM4EPOLBKMT2AFBP1PKM
SCHEMBL1823085 0.72 GABRP (0.46) KDM4EPOLBKMT2AMAPTALDH1A1
SCHEMBL10105623 0.71 KDM4E (0.34) KDM4EPOLBMAPTALDH1A1MAPK1
SCHEMBL2898709 0.71 MAPT (0.69) POLBKMT2AMAPTALDH1A1MAPK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
CN-102036991-A GPR119 receptor agonists HOFFMANN LA ROCHE 2011-04-27 CN disclosed
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
EP-2051976-B1 4-[5-METHOXY-6-(2-METHYL-6-[1,2,4]TRIAZOL-1-YL-PYRIDIN-3-YLAMINO)-PYRIMIDIN-4-YLOXY]-PIPERIDINE-1-CARBOXYLC ACID ISOPROPYL ESTER AS MODULATOR OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2010-05-26 EP disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed
US-20090286816-A1 MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-20090286816-A1 MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-20090286816-A1 MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US disclosed
CN-101484441-A Modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2009-07-15 CN disclosed
EP-2051976-A2 MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP disclosed
WO-2008005569-A2 MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 WO disclosed
WO-2008005569-A2 MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 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-20090286816-A1 MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO GPR119, SLC5A1, PC KDM4E 1551/4885POLB 2892/4885KMT2A 2123/4885
US-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 KDM4E 3907/4885POLB 4521/4885KMT2A 3444/4885

“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.