SCHEMBL4037481

SCHEMBL4037481

Cc1ccncc1-c1cc(C(N)=O)c2n1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.40
NR1H2 P55055 2/20 0.39
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PARP1 P09874 1/20 0.38
F12 P00748 1/20 0.37
NAMPT P43490 2/20 0.36
KIT P10721 1/20 0.36
POLB P06746 1/20 0.36
CYP11B2 P19099 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL4039386 0.84 GPR119 (0.45) GPR119NR1H2
SCHEMBL4041722 0.83 KIT (0.48) GPR119NR1H2PARP1KITPOLB
SCHEMBL4043737 0.79 NR1H2 (0.39) GPR119NR1H2POLB
SCHEMBL4038413 0.79 NR1H2 (0.43) GPR119NR1H2PARP1KIT
SCHEMBL4041973 0.78 NR1H2 (0.45) GPR119NR1H2PARP1F12POLB
SCHEMBL4038847 0.77 GPR119 (0.39) GPR119NR1H2
SCHEMBL2158167 0.76 SIRT3 (0.46) SIRT3TDP1CYP11B2
SCHEMBL6663895 0.76 NR1H2 (0.41) GPR119NR1H2PARP1F12KIT
SCHEMBL4042990 0.76 GPR119 (0.42) GPR119NR1H2
SCHEMBL31482 0.74 NR1H2 (0.44) GPR119NR1H2PARP1F12POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 GPR119 770/4885NR1H2 398/4885SIRT3 2761/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS GPR119 631/4885NR1H2 322/4885SIRT3 1960/4885

“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.