SCHEMBL2586817

SCHEMBL2586817

O=C1CCC(c2ccc3nc(-c4ccccn4)oc3c2)=NN1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.76
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 2/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PKM P14618 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL2590204 0.86 GPR119 (1.00) GPR119
SCHEMBL2587091 0.80 GPR119 (1.00) GPR119KDM4EALDH1A1HPGD
SCHEMBL2590741 0.79 GPR119 (1.00) GPR119KDM4EALDH1A1HPGDCYP1A2
SCHEMBL2590656 0.79 GPR119 (0.77) GPR119
SCHEMBL7273949 0.78 SMN1; SMN2 (0.66) GPR119SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2592010 0.78 GPR119 (0.72) GPR119
SCHEMBL10773520 0.78 NPC1 (0.53) GPR119SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL10773509 0.76 NPC1 (0.53) GPR119SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL11568322 0.75 SMN1; SMN2 (0.59) GPR119SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL10519493 0.74 GPR119 (0.64) GPR119SMN1; SMN2

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-8772323-B2 Benzoxazole- and tetrahydrobenzoxazole-substituted pyridazinones as GPR119 agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US claimed
US-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US claimed
EP-2566864-A2 PYRIDAZINONES AS GPR119 AGONISTS Boehringer Ingelheim International GmbH (DE) 2013-03-13 EP claimed
WO-2011138427-A2 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 WO claimed
US-8772323-B2 Benzoxazole- and tetrahydrobenzoxazole-substituted pyridazinones as GPR119 agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
US-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
EP-2566864-A2 PYRIDAZINONES AS GPR119 AGONISTS Boehringer Ingelheim International GmbH (DE) 2013-03-13 EP disclosed
WO-2011138427-A2 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 WO disclosed
EP-0196005-B1 PYRIDAZINONES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1989-12-20 EP disclosed
EP-0196005-A1 Pyridazinones, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1986-10-01 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 (1 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-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS GPR65, GPR119, GPR55 GPR119 2/4885SMN1; SMN2 3910/4885KDM4E 3665/4885

“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.