SCHEMBL4040261

SCHEMBL4040261

NC(=O)c1c(Cl)c(-c2cccnc2)n2c1CNCC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 9/20 0.42
MKNK2 Q9HBH9 8/20 0.42
CSNK1D P48730 2/20 0.38
CSNK1E P49674 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GBA1 P04062 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CYP11B2 P19099 1/20 0.35
CHEK1 O14757 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL4036958 0.85 MKNK1 (0.36) MKNK1MKNK2CSNK1DCSNK1EHTR2A
SCHEMBL7946379 0.83 CYP11B2 (0.42) MKNK1MKNK2CSNK1DCSNK1EKCNH2
SCHEMBL895772 0.82 MKNK1 (0.41) MKNK1MKNK2CSNK1DCSNK1EKCNH2
Trifluoroacetic Acid SCHEMBL4036264 0.80 HTR2A (0.40) CSNK1EHTR2AHTR2C
Trifluoroacetic Acid SCHEMBL4036656 0.79 MKNK1 (0.36) MKNK1MKNK2CSNK1DCSNK1EHTR2A
Trifluoroacetic Acid SCHEMBL4040207 0.75 ACVR1 (0.35) HTR2AHTR2CCYP1A2CYP11B2
SCHEMBL2157432 0.75 CYP11B2 (0.44) MKNK1MKNK2CSNK1DCSNK1EKCNH2
SCHEMBL7953077 0.74 MKNK1 (0.40) MKNK1MKNK2CSNK1DCSNK1EPKN1
SCHEMBL2158254 0.74 MKNK1 (0.43) MKNK1MKNK2CSNK1DCSNK1EPKN1
SCHEMBL4045206 0.74 CSNK1E (0.47) CSNK1DCSNK1EGBA1CYP3A4

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 6 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-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 MKNK1 48/4885MKNK2 50/4885CSNK1D 134/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS MKNK1 231/4885MKNK2 227/4885CSNK1D 154/4885

“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.