SCHEMBL789562

SCHEMBL789562

C1=NC[N]c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.38

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
SCHEMBL2516591 0.79 TRPA1 (0.36) TRPA1
SCHEMBL19194414 0.76 TRPA1 (0.34) TRPA1
SCHEMBL6363316 0.70
SCHEMBL9728990 0.68 TRPA1 (0.39) TRPA1
SCHEMBL5050147 0.66 TRPA1 (0.58) TRPA1
SCHEMBL15075855 0.66
SCHEMBL9926021 0.66 TRPA1 (0.58) TRPA1
SCHEMBL9738225 0.66 NOS1 (0.42) TRPA1
SCHEMBL30691872 0.66 TRPA1 (0.58) TRPA1
SCHEMBL2514035 0.66 TRPA1 (0.33) TRPA1

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US claimed
US-7732604-B2 Triazolopyrazine derivatives PFIZER INC. (US) 2010-06-08 US claimed
US-20100105656-A1 TRIAZOLOPYRAZINE DERIVATIVES PFIZER INC. 2010-04-29 US claimed
US-20080070096-A1 Proton Conducting Copolymers STICHTING ENERGIEONDERZOEK CENTRUM NEDERLAND (NL) 2008-03-20 US claimed
EP-1778762-B1 PROTON CONDUCTING COPOLYMERS STICHTING ENERGIE (NL) 2007-12-19 EP claimed
EP-1778762-A1 PROTON CONDUCTING COPOLYMERS Stichting Energieonderzoek Centrum Nederland (NL) 2007-05-02 EP claimed
WO-2006016805-A1 PROTON CONDUCTING COPOLYMERS STICHTING ENERGIEONDERZOEK CENTRUM NEDERLAND (NL) 2006-02-16 WO claimed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US claimed
CN-114728867-A Compound, organic electroluminescent element, and electronic device 出光兴产株式会社 2022-07-08 CN disclosed
CN-114616692-A Organic electroluminescent element and electronic device 出光兴产株式会社 2022-06-10 CN disclosed
CN-114450817-A Organic electroluminescent element and electronic device 出光兴产株式会社 2022-05-06 CN disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
CN-113166128-A Novel compound and organic electroluminescent element using same 出光兴产株式会社 2021-07-23 CN disclosed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
WO-2006016805-A1 PROTON CONDUCTING COPOLYMERS STICHTING ENERGIEONDERZOEK CENTRUM NEDERLAND (NL) 2006-02-16 WO disclosed
WO-2006016805-A1 PROTON CONDUCTING COPOLYMERS STICHTING ENERGIEONDERZOEK CENTRUM NEDERLAND (NL) 2006-02-16 WO disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
EP-1436255-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
WO-2003024924-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-03-27 WO disclosed
EP-0013612-B1 (PIPERIDINYLALKYL)QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-11-09 EP 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 (3 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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C TRPA1 3180/4885
US-20100105656-A1 TRIAZOLOPYRAZINE DERIVATIVES JAK2, ABL1, CCND2 TRPA1 3207/4885
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE DDX5, SAMHD1, EIF2AK2 TRPA1 4684/4885

“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.