SCHEMBL4041480

SCHEMBL4041480

CC(C)(C)OC(=O)N1CCn2c(c(C#N)c(C#N)c2-c2cccnc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.49
GPR119 Q8TDV5 8/20 0.46
KIT P10721 1/20 0.45
NR1H2 P55055 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP3A5 P20815 1/20 0.41
POLB P06746 1/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPK1 P28482 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL4039078 0.91 CSNK1E (0.46) GBA1GPR119KITNR1H2CYP3A4
SCHEMBL4042990 0.84 GPR119 (0.42) GBA1GPR119NR1H2
SCHEMBL4038931 0.84 GBA1 (0.49) GBA1GPR119KITNR1H2CYP3A4
SCHEMBL4040314 0.83 KIT (0.45) GBA1GPR119KITNR1H2CYP3A4
SCHEMBL4038918 0.82 SQOR (0.44) GPR119NR1H2CYP3A4CYP3A5POLB
SCHEMBL4045206 0.81 CSNK1E (0.47) GBA1GPR119KITNR1H2CYP3A4
SCHEMBL4046090 0.80 NR1H2 (0.41) GBA1GPR119KITNR1H2CKS1B
SCHEMBL4041790 0.80 NR1H2 (0.41) GBA1GPR119NR1H2CSNK1ECKS1B
SCHEMBL4039015 0.79 GBA1 (0.47) GBA1GPR119KITNR1H2CYP3A4
SCHEMBL4038604 0.79 CSNK1E (0.46) NR1H2CSNK1DCSNK1E

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 GBA1 3350/4885GPR119 770/4885KIT 1838/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS GBA1 3189/4885GPR119 631/4885KIT 3656/4885

“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.