SCHEMBL4039352

SCHEMBL4039352

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.41
CSNK1E P49674 7/20 0.40
CSNK1D P48730 1/20 0.40
POLB P06746 1/20 0.39
NR1H2 P55055 1/20 0.38
DTYMK P23919 1/20 0.37
GRM5 P41594 2/20 0.36
MAPT P10636 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
PARP1 P09874 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
GRM1 Q13255 1/20 0.35
F12 P00748 1/20 0.35

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
SCHEMBL4038918 0.91 SQOR (0.44) SQORPOLBNR1H2DTYMKGRM5
SCHEMBL4038847 0.84 GPR119 (0.39) SQORCSNK1ECSNK1DNR1H2JAK2
SCHEMBL4039078 0.84 CSNK1E (0.46) CSNK1ECSNK1DNR1H2MAPTJAK2
SCHEMBL4038604 0.82 CSNK1E (0.46) CSNK1ECSNK1DNR1H2
SCHEMBL4045292 0.80 NR1H2 (0.43) SQORPOLBNR1H2DTYMKGRM5
SCHEMBL4038381 0.78 POLB (0.41) SQORPOLBNR1H2DTYMKDDB1
SCHEMBL27606668 0.78
SCHEMBL4047712 0.77 MKNK1 (0.38) CSNK1ECSNK1DPARP1
SCHEMBL4041790 0.75 NR1H2 (0.41) CSNK1ENR1H2GPR119
SCHEMBL4038417 0.74 NR1H2 (0.38) CSNK1ENR1H2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO 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 3135/4885CSNK1E 136/4885CSNK1D 134/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS SQOR 1170/4885CSNK1E 243/4885CSNK1D 154/4885

“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.