SCHEMBL6160110

SCHEMBL6160110

O=C1NN(Cc2cccnc2)C(c2ccncc2)C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
PPARG P37231 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
P2RX7 Q99572 1/20 0.40
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
PTAFR P25105 2/20 0.37
GABRA5 P31644 5/20 0.37
GABRA1 P14867 4/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL6159878 0.76 SLC6A2 (0.40) MAPTSLC6A2SLC6A3
SCHEMBL5219990 0.72 SLC6A3 (0.42) MAPTSLC6A2SLC6A3
SCHEMBL6158999 0.67 P2RX7 (0.47) P2RX7MAPTGABRA5GABRA1SLC6A2
SCHEMBL6160330 0.61 SLC6A3 (0.42) MAPTSLC6A2SLC6A3
SCHEMBL20448334 0.60 LMNA (0.39) KMT2AP2RX7GABRA5GABRA1LMNA
SCHEMBL25827237 0.59 GABRA5 (0.48) KMT2APKMOPRM1OPRD1GABRA5
SCHEMBL25827046 0.59 CYP3A4 (0.55) GABRA5GRIN1GRIN2B
SCHEMBL3419641 0.59 PKM (0.58) KMT2APKMOPRM1OPRD1GABRA5
SCHEMBL9144226 0.59 ALDH1A1 (0.56) KMT2ARAB9A
SCHEMBL9147019 0.59 ALDH1A1 (0.51) KMT2AMAPTRAB9A

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 4 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 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 KMT2A 1775/4885PPARG 3120/4885RXFP1 826/4885

“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.