SCHEMBL1061978

SCHEMBL1061978

Cc1nc(-n2cncn2)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2A6 P11509 1/20 0.35
PDE10A Q9Y233 1/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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 0.82 KDM4E (0.40) ADORA2AADORA1CYP2C9CYP1A2CYP2D6
SCHEMBL3372137 0.79 GRIN1 (0.39) ADORA2AADORA1CYP2C9CYP1A2CYP2D6
SCHEMBL1056459 0.79 KDM4E (0.39) ADORA2AADORA1CYP2C9CYP1A2CYP2D6
SCHEMBL10105623 0.77 KDM4E (0.34) ADORA2AADORA1CYP2C9CYP1A2CYP2D6
SCHEMBL354152 0.76 NNMT (0.45) CYP2C9CYP1A2CYP2C19KDM4EPOLB
SCHEMBL1823085 0.74 GABRP (0.46) KDM4EPOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL1822851 0.73 KDM4E (0.40) CYP2C9CYP1A2CYP2C19LMNAKDM4E
SCHEMBL1128949 0.73 KDM4E (0.44) KDM4EPOLBALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL1822852 0.73 GABRP (0.45) LMNAKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL10120648 0.72 KDM4E (0.39) ADORA2AADORA1CYP2C9CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643310-A1 4- (5-CYANO-PYRAZOL-1-YL) -PIPERIDINE DERIVATIVES AS GPR 119 MODULATORS Pfizer Inc (US) 2013-10-02 EP disclosed
US-8513265-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
US-20130116237-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 US disclosed
US-8314095-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-20 US disclosed
US-20120202790-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
WO-2012069948-A1 4- (5-CYANO-PYRAZOL-1-YL) -PIPERIDINE DERIVATIVES AS GPR 119 MODULATORS PFIZER INC. (US) 2012-05-31 WO disclosed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2144902-B1 [6,6]AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-05-16 EP disclosed
EP-2438051-A1 L- ( PIPERIDIN-4-YL) -PYRAZOLE DERIVATIVES AS GPR 119 MODULATORS Pfizer Inc. (US) 2012-04-11 EP disclosed
US-8076322-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-13 US 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
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 US disclosed
WO-2008137435-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-13 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 (5 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 ADORA2A 1018/4885ADORA1 654/4885CYP2C9 316/4885
US-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 ADORA2A 282/4885ADORA1 290/4885CYP2C9 917/4885
US-20130116237-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 ADORA2A 63/4885ADORA1 61/4885CYP2C9 730/4885
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 ADORA2A 63/4885ADORA1 61/4885CYP2C9 730/4885
US-20120202790-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 ADORA2A 63/4885ADORA1 61/4885CYP2C9 730/4885

“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.