SCHEMBL4043877

SCHEMBL4043877

COc1ccc(CC(=O)N2CCn3c(c(C(N)=O)c(Cl)c3-c3ccccc3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.47
CSNK1E P49674 8/20 0.47
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GPR183 P32249 1/20 0.45
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43

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
SCHEMBL14394080 0.88 CSNK1E (0.46) MAPTCSNK1EKMT2AMEN1GPR183
SCHEMBL13964402 0.88 CSNK1E (0.46) MAPTCSNK1E
SCHEMBL4041884 0.81 MEN1 (0.51) ALDH1A1LMNACSNK1EKMT2AMEN1
SCHEMBL14368530 0.81 CSNK1E (0.48) CSNK1E
SCHEMBL4046713 0.78 LMNA (0.46) ALDH1A1LMNARAB9AKMT2AMEN1
SCHEMBL4039192 0.77 CSNK1E (0.44) ALDH1A1CSNK1E
SCHEMBL13964367 0.77 CSNK1E (0.56) SMN1; SMN2ALDH1A1LMNARAB9AMAPT
SCHEMBL4038552 0.76 CSNK1E (0.52) CSNK1E
SCHEMBL13964198 0.76 KDM4E (0.50) SMN1; SMN2CSNK1EKMT2AMEN1L3MBTL1
SCHEMBL13964274 0.75 CSNK1E (0.53) LMNAMAPTCSNK1E

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 7 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-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 SMN1; SMN2 3785/4885ALDH1A1 3369/4885LMNA 3702/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS SMN1; SMN2 4434/4885ALDH1A1 4117/4885LMNA 4110/4885

“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.