SCHEMBL130518

SCHEMBL130518

[NH]c1ccc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.56
NR4A2 P43354 2/20 0.56
CYP2A6 P11509 2/20 0.56
F7 P08709 1/20 0.56
LTA4H P09960 1/20 0.56
F3 P13726 1/20 0.56
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
RAD51 Q06609 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
F2 P00734 1/20 0.52
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
NPC1 O15118 1/20 0.50
GPR84 Q9NQS5 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TRPA1 O75762 1/20 0.46
ITGB2 P05107 1/20 0.46

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
SCHEMBL1047257 0.81 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL6017338 0.76 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL5850255 0.75 NPC1 (0.79) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL2530865 0.73 GPR84 (0.67) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL131550 0.71 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL405311 0.71 AHR (1.00) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL130519 0.71 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL177313 0.71 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL228554 0.71 AHR (1.00) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL18805065 0.71 AHR (1.00) AHRNR4A2CYP2A6F7LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US claimed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP claimed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US claimed
EP-2268144-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-01-05 EP claimed
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-01 US claimed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
WO-2010025871-A1 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
EP-2161259-A1 4-Haloalkyl substituted Diaminopyrimidine Bayer CropScience AG (DE) 2010-03-10 EP claimed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 EP claimed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 WO claimed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 WO claimed
WO-2021115489-A1 NOVEL HETEROCYCLIC DERIVATIVES WITH CARDIOMYOCYTE PROLIFERATION ACTIVITY FOR TREATMENT OF HEART DISEASES TONGJI UNIVERSITY (CN) 2021-06-17 WO disclosed
WO-2021114314-A1 NOVEL HETEROCYCLIC DERIVATIVES WITH CARDIOMYOCYTE PROLIFERATION ACTIVITY FOR TREATMENT OF HEART DISEASES TONGJI UNIVERSITY (CN) 2021-06-17 WO disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
US-20190144383-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITION ASSOCIATED WITH UBIQUITINATION-PROTEASOME SYSTEM CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2019-05-16 US disclosed
US-6184226-B1 ANTIINFLAMMATORY AGENTS FOR TREATMENT OF CARDIOVASCULAR SYSTEM DISORDERS/RESPIRATORY SYSTEM DISORDERS, ANTIISCHEMIC AGENTS SCIOS INC. 2001-02-06 US disclosed
WO-2000012497-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2000-03-09 WO disclosed
US-5618816-A Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridnyl and pyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
EP-0729958-A2 Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridinyl and pyrimidinyl-piperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1996-09-04 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 (4 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-20190144383-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITION ASSOCIATED WITH UBIQUITINATION-PROTEASOME SYSTEM PSMC1, PSME3, PSMB1 AHR 715/4885NR4A2 1798/4885CYP2A6 3159/4885
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES PM20D2, DDT, DDX41 AHR 1281/4885NR4A2 2729/4885CYP2A6 785/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C AHR 504/4885NR4A2 2113/4885CYP2A6 827/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 AHR 2612/4885NR4A2 3035/4885CYP2A6 2167/4885

“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.