SCHEMBL4037080

SCHEMBL4037080

NC(=O)c1c(Cl)c(-c2ccccc2)n2c1CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
LMNA P02545 3/20 0.46
GBA1 P04062 1/20 0.46
CSNK1E P49674 3/20 0.45
CNR1 P21554 2/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.41
RORC P51449 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
SCHEMBL4036720 0.90 GBA1 (0.43) LMNAGBA1CSNK1EGAAPKM
SCHEMBL4044206 0.87 KMT2A (0.42) HTTCSNK1EGAAPKMALDH1A1
SCHEMBL14393996 0.87 HTT (0.46) HTTLMNAGBA1CSNK1ECNR1
SCHEMBL4036903 0.86 CSNK1E (0.42) LMNAGBA1CSNK1EGAAALDH1A1
SCHEMBL4038486 0.84 KMT2A (0.45) HTTLMNAGAAPKMSMN1; SMN2
SCHEMBL4037586 0.84 CSNK1E (0.44) GBA1CSNK1EUSP2
SCHEMBL4041961 0.83 PKM (0.47) GBA1GAAPKMALDH1A1USP2
SCHEMBL4043222 0.83 GBA1 (0.42) HTTLMNAGBA1CNR1PKM
SCHEMBL4047940 0.81 LSS (0.37) GBA1CSNK1ESMN1; SMN2USP2
SCHEMBL4036996 0.81 SMN1; SMN2 (0.39) HTTGBA1CSNK1EGAAALDH1A1

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 8 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 claimed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 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
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO 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 HTT 4096/4885LMNA 3702/4885GBA1 3350/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS HTT 3598/4885LMNA 4110/4885GBA1 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.