SCHEMBL2049533

SCHEMBL2049533

Fc1ccc[c]c1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.33
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL19405406 0.92 ABCB1 (0.34) ABCB1KDM4E
SCHEMBL19405411 0.92 ABCB1 (0.31) ABCB1KDM4E
SCHEMBL435185 0.90 ABCB1 (0.37) ABCB1KDM4E
SCHEMBL15637891 0.81 ABCB1 (0.34) ABCB1
SCHEMBL16962347 0.77 KDM4E (0.30) KDM4E
SCHEMBL16958502 0.76 HTR2C (0.31)
SCHEMBL9586481 0.76 HTR2C (0.31)
SCHEMBL16954637 0.75 KDM4E (0.43) KDM4E
SCHEMBL16719896 0.74 KDM4E (0.33) KDM4E
SCHEMBL458668 0.74 TP53 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239755-A1 SUBSTITUTED PYRIDAZINONES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-07-18 US claimed
EP-4330234-A1 SUBSTITUTED PYRIDAZINONES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-03-06 EP claimed
CN-117222625-A Substituted pyridazinones, salts or N-oxides thereof and their use as herbicidal agents 拜耳公司 2023-12-12 CN claimed
WO-2021253180-A1 METHYL (R) -2- (FLUOROMETHYL) -5-OXO-4-PHENYL-4, 5, 6, 7-TETRAHYDRO-1H-CYCLOPENTA [B] PYRIDINE-3-CARBOXYLATE AND METHYL (R) -2- (FLUOROMETHYL) -5-OXO-4-PHENYL-1, 4, 5, 7-TETRAHYDROFURO [3, 4-B] PYRIDINE-3-CARBOXYLATE AS CAV1.2 ACTIVATORS NOVARTIS AG (CH) 2021-12-23 WO claimed
US-9890167-B2 Pyrazine compounds for the treatment of infectious diseases HOFFMANN-LA ROCHE INC. (US) 2018-02-13 US claimed
EP-3245206-A1 PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. Hoffmann-La Roche AG (CH) 2017-11-22 EP claimed
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2016-08-18 US claimed
WO-2016113273-A1 PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2016-07-21 WO claimed
US-20240239755-A1 SUBSTITUTED PYRIDAZINONES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-07-18 US disclosed
EP-4330234-A1 SUBSTITUTED PYRIDAZINONES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-03-06 EP disclosed
CN-117222625-A Substituted pyridazinones, salts or N-oxides thereof and their use as herbicidal agents 拜耳公司 2023-12-12 CN disclosed
WO-2021253180-A1 METHYL (R) -2- (FLUOROMETHYL) -5-OXO-4-PHENYL-4, 5, 6, 7-TETRAHYDRO-1H-CYCLOPENTA [B] PYRIDINE-3-CARBOXYLATE AND METHYL (R) -2- (FLUOROMETHYL) -5-OXO-4-PHENYL-1, 4, 5, 7-TETRAHYDROFURO [3, 4-B] PYRIDINE-3-CARBOXYLATE AS CAV1.2 ACTIVATORS NOVARTIS AG (CH) 2021-12-23 WO disclosed
US-11168086-B2 Methods of synthesizing pyrazine compounds HOFFMANN-LA ROCHE INC. (US) 2021-11-09 US disclosed
CN-107004906-B Magnesium-containing electrolyte 富士胶片和光纯药株式会社 2020-04-21 CN disclosed
US-6964974-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
US-20040242580-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides KELLY MARTHA JEAN (US) 2004-12-02 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP disclosed
US-5633268-A FUNGICIDES, INSECTICIDES, PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-05-27 US disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 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 (5 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-11168086-B2 Methods of synthesizing pyrazine compounds CYP3A5, HAVCR2, HCCS ABCB1 208/4885KDM4E 3231/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 ABCB1 143/4885KDM4E 4051/4885
US-20240239755-A1 SUBSTITUTED PYRIDAZINONES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES PNPO, WEE1, PDXK ABCB1 1593/4885KDM4E 1628/4885
US-20040242580-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides DDT, CYP4B1, CYP4X1 ABCB1 110/4885KDM4E 405/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ABCB1 2132/4885KDM4E 960/4885

“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.