SCHEMBL6161488

SCHEMBL6161488

CC(C)n1c(-c2ccncc2)c(-c2ccc(Cl)c(Cl)c2)c(=O)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.40
MAP3K14 Q99558 1/20 0.39
GRM2 Q14416 1/20 0.38
NPY5R Q15761 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
MAPK13 O15264 3/20 0.35
MAPK12 P53778 3/20 0.35
MAPK11 Q15759 3/20 0.35
MAPK14 Q16539 3/20 0.35
RAF1 P04049 1/20 0.35
BCHE P06276 1/20 0.35
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL6158999 0.75 P2RX7 (0.47) TGFBR1GRM2GABRA1ALDH1A1CYP3A4
SCHEMBL5215409 0.75 MAP3K14 (0.39) MAP3K14NPY5RHTTMAPK13MAPK12
SCHEMBL6159495 0.73 MAP3K14 (0.37) MAP3K14GRM2POLBMAPK13MAPK12
SCHEMBL5142281 0.68 PTGS2 (0.52) TGFBR1
SCHEMBL5216102 0.63 MAPK14 (0.61) MAP3K14NPY5RHTTMAPK13MAPK12
SCHEMBL4826188 0.60 MAPK9 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2490210 0.60 ITGB1 (0.47) MAP3K14POLBHTT
SCHEMBL22733032 0.59 MEN1 (0.40) POLBHTTBCHEKDM4E
SCHEMBL31037041 0.59 MEN1 (0.40) POLBHTTBCHEKDM4E
SCHEMBL198546 0.58 EIF2AK3 (0.47) POLBBCHEKDM4EALDH1A1HPGD

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
US-6967254-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2005-11-22 US claimed
US-20040058918-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2004-03-25 US claimed
US-6967254-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2005-11-22 US disclosed
EP-1542680-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS Amgen Inc. (US) 2005-06-22 EP disclosed
US-20040058918-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2004-03-25 US disclosed
WO-2004022055-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2004-03-18 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 (1 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-20040058918-A1 Substituted heterocyclic compounds and methods of use MYLK2, MAPT, HMGB1 TGFBR1 923/4885MAP3K14 892/4885GRM2 554/4885

“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.