SCHEMBL4044169

SCHEMBL4044169

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
CSNK1E P49674 8/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.44
LMNA P02545 4/20 0.43
MEN1 O00255 1/20 0.42
NPY2R P49146 1/20 0.42
KMT2A Q03164 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
SCHEMBL14368386 0.91 CSNK1E (0.53) CSNK1ENPC1RAB9A
SCHEMBL14394089 0.87 CSNK1E (0.43) ALDH1A1SMN1; SMN2CSNK1EMEN1KMT2A
SCHEMBL4039197 0.85 CSNK1E (0.44) ALDH1A1CSNK1E
SCHEMBL4039192 0.85 CSNK1E (0.44) ALDH1A1CSNK1E
SCHEMBL4043877 0.83 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2HPGDCSNK1ERAB9A
SCHEMBL14368415 0.82 CSNK1E (0.49) CSNK1E
SCHEMBL13964367 0.81 CSNK1E (0.56) ALDH1A1SMN1; SMN2CSNK1ENPC1RAB9A
SCHEMBL4037674 0.81 CSNK1E (0.42) ALDH1A1SMN1; SMN2CSNK1EGAALMNA
SCHEMBL14368388 0.80 CSNK1E (0.53) CSNK1E
SCHEMBL13963918 0.80 CSNK1E (0.52) ALDH1A1SMN1; SMN2CSNK1ENPC1RAB9A

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 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-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 ALDH1A1 3369/4885SMN1; SMN2 3785/4885HPGD 2468/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS ALDH1A1 4117/4885SMN1; SMN2 4434/4885HPGD 3510/4885

“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.