SCHEMBL1229601

SCHEMBL1229601

CCCCCc1ncn(CCCCC)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.40
TLR8 Q9NR97 2/20 0.36
TBXAS1 P24557 1/20 0.34
SMPD1 P17405 4/20 0.33
GPR84 Q9NQS5 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 2/20 0.32
KCNH2 Q12809 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL27573009 0.98 KDR (0.42) KDRTLR8TBXAS1SMPD1PTGS1
SCHEMBL9036100 0.91 KDR (0.38) KDRTLR8TBXAS1SMPD1PTGS1
SCHEMBL1011975 0.86 KDR (0.36) KDRTLR8TBXAS1KCNH2
SCHEMBL1011560 0.86 KDR (0.36) KDRTLR8TBXAS1KCNH2
SCHEMBL21634161 0.84 KDR (0.36) KDRKCNH2
SCHEMBL21634173 0.83 LMNA (0.39) KDR
SCHEMBL23578174 0.82 KDR (0.41) KDRTLR8TBXAS1SMPD1PTGS1
SCHEMBL28824665 0.82 HTR2A (0.38) KDRTBXAS1KCNH2
SCHEMBL23578243 0.82 KDR (0.44) KDRTBXAS1SMPD1PTGS1PTGS2
SCHEMBL21634179 0.79 LMNA (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
EP-2461688-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
US-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 US disclosed
EP-2461687-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-09-16 EP disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
CN-104356177-A Pesticidal compositions DOW AGROSCIENCES LLC 2015-02-18 CN disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
EP-1732904-A4 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-11-14 EP disclosed
CN-1938286-A Diaryltriazoles as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK & CO INC (US) 2007-03-28 CN disclosed
EP-1732904-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 Merck & Co., Inc. (US) 2006-12-20 EP disclosed
US-RE38962-E1 Diphenyl-triazole derivatives and their use as anti-gestative immuno-suppressant and anti-tumoral agents GEANGE LTD. (IE) 2006-01-31 US disclosed
WO-2005097759-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2005-10-20 WO disclosed
US-6333343-B1 HETEROCYCLIC, AROMATIC COMPOUNDS AND ANTITUMOR AGENTS GEANGE LTD. (IE) 2001-12-25 US disclosed
EP-0986544-A1 DIPHENYL-TRIAZOLE DERIVATIVES AND THEIR USE AS ANTI-GESTATIVE, IMMUNO-SUPPRESSANT AND ANTI-TUMORAL AGENTS Geange Ltd. (IE) 2000-03-22 EP disclosed
WO-1998055463-A1 DIPHENYL-TRIAZOLE DERIVATIVES AND THEIR USE AS ANTI-GESTATIVE, IMMUNO-SUPPRESSANT AND ANTI-TUMORAL AGENTS GEANGE LTD. (IE) 1998-12-10 WO disclosed
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 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-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDR 4680/4885TLR8 4763/4885TBXAS1 4171/4885

“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.