SCHEMBL4038413

SCHEMBL4038413

CC(C)(C)OC(=O)N1CCn2c(-c3ccccc3)cc(C(N)=O)c2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
KIT P10721 1/20 0.42
SCD5 Q86SK9 1/20 0.42
CSNK1E P49674 6/20 0.42
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
PARP1 P09874 1/20 0.41
MAPK1 P28482 1/20 0.41
CSNK1D P48730 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
ESR2 Q92731 1/20 0.40
LIPG Q9Y5X9 1/20 0.39

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
SCHEMBL6663895 0.93 NR1H2 (0.41) NR1H2KITSCD5CSNK1ECKS1B
SCHEMBL4041722 0.88 KIT (0.48) NR1H2KITCSNK1ECKS1BSKP1
SCHEMBL4039705 0.81 NR1H2 (0.42) NR1H2KITSCD5CKS1BSKP1
SCHEMBL4041973 0.81 NR1H2 (0.45) NR1H2PARP1MAPK1GPR119ESR2
SCHEMBL31482 0.80 NR1H2 (0.44) NR1H2CSNK1EPARP1MAPK1GPR119
SCHEMBL4037481 0.79 GPR119 (0.40) NR1H2KITPARP1GPR119
SCHEMBL31481 0.77 NR1H2 (0.42) NR1H2CSNK1EPARP1CSNK1DGPR119
SCHEMBL4038552 0.76 CSNK1E (0.52) NR1H2CSNK1ECSNK1D
SCHEMBL30765 0.76 CSNK1E (0.71) CSNK1E
SCHEMBL1173978 0.76 CKS1B (0.49) NR1H2KITSCD5CKS1BSKP1

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 4 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

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 NR1H2 398/4885KIT 1838/4885SCD5 3574/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS NR1H2 322/4885KIT 3656/4885SCD5 4082/4885

“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.