SCHEMBL4036378

SCHEMBL4036378

CC(C)(C)OC(=O)N1CCn2c(c(C(N)=O)c(C#N)c2C2CCN(C(=O)OCc3ccccc3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 12/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CSNK1D P48730 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL4046105 0.91 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL4042681 0.84 CSNK1E (0.50) CSNK1ECSNK1D
SCHEMBL4038290 0.80 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL4039460 0.80 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL4043744 0.80 CSNK1E (0.45) CSNK1ECSNK1D
SCHEMBL4041665 0.80 CSNK1E (0.43) CSNK1ECSNK1D
SCHEMBL4038604 0.77 CSNK1E (0.46) CSNK1ECSNK1D
SCHEMBL4047164 0.74 CSNK1E (0.41) CSNK1ENPC1RAB9ACSNK1DMEN1
SCHEMBL1842426 0.73 MEN1 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL28647428 0.73 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AMEN1

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 136/4885SMN1; SMN2 3785/4885CYP2C19 2022/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CSNK1E 243/4885SMN1; SMN2 4434/4885CYP2C19 4067/4885

“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.