SCHEMBL4038918

SCHEMBL4038918

Cc1ncccc1-c1c(C#N)c(C#N)c2n1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ NR1H2 P55055 1/20 0.41
▸ DTYMK P23919 1/20 0.40
▸ NSD2 O96028 1/20 0.39
▸ GPR119 Q8TDV5 6/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GRM5 P41594 2/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP3A5 P20815 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ GRM1 Q13255 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
SCHEMBL4039352 0.91 SQOR (0.41) SQORPOLBNR1H2DTYMKGPR119
SCHEMBL27606668 0.87 — —
SCHEMBL4045292 0.84 NR1H2 (0.43) SQORPOLBNR1H2DTYMKNSD2
SCHEMBL4038381 0.83 POLB (0.41) SQORPOLBNR1H2DTYMKNSD2
SCHEMBL4042990 0.82 GPR119 (0.42) SQORNR1H2NSD2GPR119
SCHEMBL4041480 0.82 GBA1 (0.49) POLBNR1H2GPR119MAPK1GRM5
SCHEMBL4038847 0.74 GPR119 (0.39) SQORNR1H2GPR119
SCHEMBL4039078 0.74 CSNK1E (0.46) NR1H2GPR119MAPTCYP3A4CYP3A5
SCHEMBL4046090 0.73 NR1H2 (0.41) NR1H2GPR119MAPK1
SCHEMBL4041790 0.73 NR1H2 (0.41) NR1H2GPR119MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140908-B1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY ABBOTT GMBH & CO KG (DE) 2009-03-04 — — EP disclosed
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 SQOR 3135/4885POLB 2141/4885NR1H2 398/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS SQOR 1170/4885POLB 2885/4885NR1H2 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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