SCHEMBL4044338

SCHEMBL4044338

NC(=O)c1c(Cl)c(-c2ccccc2)n2c1CN(C(=O)N1CCOCC1)CC2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 14/20 0.51
AKR1C3 P42330 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 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
SCHEMBL4044914 0.91 AKR1C3 (0.47) CSNK1EAKR1C3CYP2C9CYP2C19TSHR
SCHEMBL14368458 0.88 CSNK1E (0.65) CSNK1ETSHR
SCHEMBL13963964 0.82 CSNK1E (0.49) CSNK1ECYP2C9CYP2C19TSHRALDH1A1
SCHEMBL13964275 0.82 CSNK1E (0.76) CSNK1E
SCHEMBL14368446 0.81 CSNK1E (0.51) CSNK1ECYP2C9CYP2C19
SCHEMBL14368444 0.79 FAAH (0.49) CSNK1E
SCHEMBL4039408 0.79 CSNK1E (0.46) CSNK1EKMT2A
SCHEMBL14368388 0.79 CSNK1E (0.53) CSNK1E
SCHEMBL4040054 0.79 ALDH1A1 (0.49) CSNK1ETSHRALDH1A1KMT2A
SCHEMBL13964130 0.77 CSNK1E (0.64) CSNK1E

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-2051980-A1 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-29 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
WO-2008021924-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO 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

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 CSNK1E 136/4885AKR1C3 2245/4885CYP2C9 1914/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CSNK1E 243/4885AKR1C3 1329/4885CYP2C9 2641/4885

“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.