SCHEMBL4038417

SCHEMBL4038417

CC(C)(C)OC(=O)N1CCn2c(c(C(N)=O)c(C#N)c2C(F)(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.38
CSNK1E P49674 12/20 0.36
LIPG Q9Y5X9 1/20 0.35
ADORA1 P30542 1/20 0.34
MAPT P10636 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4043828 0.88 NR1H2 (0.41) NR1H2LIPGMAPTKCNH2
SCHEMBL4042681 0.82 CSNK1E (0.50) CSNK1E
SCHEMBL4038604 0.79 CSNK1E (0.46) NR1H2CSNK1E
SCHEMBL4043744 0.78 CSNK1E (0.45) CSNK1E
SCHEMBL4039078 0.76 CSNK1E (0.46) NR1H2CSNK1EMAPT
SCHEMBL4041665 0.76 CSNK1E (0.43) CSNK1E
SCHEMBL14394076 0.74 CSNK1E (0.46) CSNK1EMAPT
SCHEMBL4038847 0.74 GPR119 (0.39) NR1H2CSNK1E
SCHEMBL4039352 0.74 SQOR (0.41) NR1H2CSNK1EMAPT
SCHEMBL4039297 0.72 NR1H2 (0.44) NR1H2CSNK1EADORA1

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 398/4885CSNK1E 136/4885LIPG 2851/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS NR1H2 322/4885CSNK1E 243/4885LIPG 3321/4885

“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.