SCHEMBL4045206

SCHEMBL4045206

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 13/20 0.47
CSNK1D P48730 1/20 0.47
GBA1 P04062 1/20 0.47
KIT P10721 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
NR1H2 P55055 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL4039015 0.93 GBA1 (0.47) CSNK1ECSNK1DGBA1KITGPR119
SCHEMBL4038552 0.88 CSNK1E (0.52) CSNK1ECSNK1DNR1H2
SCHEMBL4039078 0.87 CSNK1E (0.46) CSNK1ECSNK1DGBA1KITGPR119
SCHEMBL4043737 0.84 NR1H2 (0.39) CSNK1ECSNK1DGPR119CYP3A4CYP3A5
SCHEMBL4041480 0.81 GBA1 (0.49) CSNK1ECSNK1DGBA1KITGPR119
SCHEMBL4041722 0.79 KIT (0.48) CSNK1ECSNK1DGBA1KITGPR119
SCHEMBL4399119 0.79 NR1H2 (0.55) GBA1KITGPR119CYP3A4CYP3A5
SCHEMBL4042414 0.77 CSNK1E (0.40) CSNK1ECSNK1D
SCHEMBL14368461 0.77 CSNK1E (0.53) CSNK1ECSNK1D
SCHEMBL14393987 0.77 TRPV1 (0.52) CSNK1ECSNK1D

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 CSNK1E 136/4885CSNK1D 134/4885GBA1 3350/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CSNK1E 243/4885CSNK1D 154/4885GBA1 3189/4885

“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.