SCHEMBL4044206

SCHEMBL4044206

NC(=O)c1c(Cl)c(-c2ccccc2)n2c1CN(S(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.41
CSNK1E P49674 8/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOD1 Q9Y239 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 1/20 0.39
AKR1C3 P42330 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4043222 0.95 GBA1 (0.42) KMT2APKMALDH1A1HTTSMN1; SMN2
SCHEMBL4036996 0.93 SMN1; SMN2 (0.39) KMT2ACSNK1EALDH1A1NPC1GAA
SCHEMBL4047940 0.93 LSS (0.37) KMT2ACSNK1ESMN1; SMN2
SCHEMBL4045127 0.93 GBA1 (0.46) KMT2APKMALDH1A1GAAMEN1
SCHEMBL4041961 0.93 PKM (0.47) KMT2APKMALDH1A1GAAMEN1
SCHEMBL13964081 0.91 KMT2A (0.37) KMT2APKMCSNK1ESMN1; SMN2MEN1
SCHEMBL4046713 0.90 LMNA (0.46) KMT2APKMALDH1A1NPC1MEN1
SCHEMBL4039508 0.90 FAAH (0.47) KMT2AALDH1A1NPC1GAAHTT
SCHEMBL4040943 0.90 GBA1 (0.43) KMT2APKMCSNK1EALDH1A1GAA
SCHEMBL4036903 0.90 CSNK1E (0.42) KMT2ACSNK1EALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 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-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US 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 KMT2A 2686/4885PKM 1068/4885CSNK1E 136/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS KMT2A 1910/4885PKM 3366/4885CSNK1E 243/4885

“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.