SCHEMBL4039386

SCHEMBL4039386

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.45
▸ TBK1 Q9UHD2 1/20 0.39
▸ NR1H2 P55055 2/20 0.38
▸ RET P07949 4/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ NR1H3 Q13133 1/20 0.37

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
SCHEMBL4040314 0.84 KIT (0.45) GPR119NR1H2RETNR1H3
SCHEMBL4038225 0.84 GPR119 (0.46) GPR119TBK1NR1H2RETNSD2
SCHEMBL4037481 0.84 GPR119 (0.40) GPR119NR1H2
SCHEMBL4038381 0.83 POLB (0.41) GPR119NR1H2RETNSD2NR1H3
SCHEMBL4042990 0.83 GPR119 (0.42) GPR119NR1H2NSD2
SCHEMBL4039705 0.79 NR1H2 (0.42) GPR119NR1H2NR1H3
SCHEMBL4038847 0.78 GPR119 (0.39) GPR119NR1H2
SCHEMBL4041240 0.78 NR1H2 (0.44) GPR119NR1H2RETNR1H3
SCHEMBL30736131 0.75 LMNA (0.52) GPR119NR1H2RETNR1H3
SCHEMBL2157447 0.73 CYP11B2 (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 — — EP claimed
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

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 770/4885TBK1 419/4885NR1H2 398/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS GPR119 631/4885TBK1 1542/4885NR1H2 322/4885

“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.

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