SCHEMBL4041884

SCHEMBL4041884

NC(=O)c1c(Cl)c(-c2ccccc2)n2c1CN(C(=O)COc1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CSNK1E P49674 8/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
GPR183 P32249 1/20 0.44
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42

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
SCHEMBL6631721 0.92 MEN1 (0.53) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL4039408 0.84 CSNK1E (0.46) MEN1KMT2ACSNK1ELMNA
SCHEMBL4042496 0.83 CSNK1E (0.45) CSNK1E
SCHEMBL14394080 0.82 CSNK1E (0.46) MEN1KMT2ACSNK1EGPR183
SCHEMBL14368530 0.80 CSNK1E (0.48) CSNK1E
SCHEMBL13964402 0.80 CSNK1E (0.46) CSNK1EME2ME1ME3
SCHEMBL4039443 0.79 KDM4E (0.44) MEN1KMT2ACSNK1EALDH1A1LMNA
SCHEMBL4039482 0.79 CSNK1E (0.48) CSNK1EALDH1A1LMNAKDM4E
SCHEMBL13964274 0.78 CSNK1E (0.53) CSNK1ELMNAKDM4E
SCHEMBL4037560 0.78 CSNK1E (0.50) CSNK1EALDH1A1LMNAKDM4E

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 9 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
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 MEN1 3865/4885KMT2A 2686/4885CSNK1E 136/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS MEN1 3716/4885KMT2A 1910/4885CSNK1E 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.