SCHEMBL4039181

SCHEMBL4039181

CC(C)(C)OC(=O)N1CCn2c(c(C#N)c(Cl)c2C2CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 4/20 0.39
NR1H2 P55055 1/20 0.38
GPR119 Q8TDV5 7/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 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
SCHEMBL4047164 0.90 CSNK1E (0.41) CSNK1ENR1H2GPR119MEN1KMT2A
SCHEMBL14841535 0.87 KCNH2 (0.39) CSNK1ENR1H2GPR119MEN1KMT2A
SCHEMBL4042681 0.83 CSNK1E (0.50) CSNK1E
SCHEMBL4036501 0.83 USP2 (0.41) CSNK1ENR1H2GPR119MEN1KMT2A
SCHEMBL4038745 0.81 CSNK1E (0.47) CSNK1E
SCHEMBL14841949 0.79 CSNK1E (0.54) CSNK1EGPR119ALDH1A1
SCHEMBL4043744 0.77 CSNK1E (0.45) CSNK1E
SCHEMBL4043129 0.74 CSNK1E (0.45) CSNK1EUSP2SMN1; SMN2
SCHEMBL4043828 0.74 NR1H2 (0.41) NR1H2GPR119MEN1KMT2AUSP2
SCHEMBL4046105 0.74 SMN1; SMN2 (0.44) GPR119MEN1KMT2AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 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

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 136/4885NR1H2 398/4885GPR119 770/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CSNK1E 243/4885NR1H2 322/4885GPR119 631/4885

“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.