SCHEMBL4016258

SCHEMBL4016258

Cc1nc2ncnn2c(Cl)c1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 18/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4014836 0.84 PDE2A (0.39) PDE2AALDH1A1
SCHEMBL4012512 0.77 LMNA (0.45) PDE2AALDH1A1
SCHEMBL7819692 0.74 TSHR (0.50) KDM4EALDH1A1
SCHEMBL5674713 0.74 ALDH1A1 (0.47) KDM4EALDH1A1
SCHEMBL5227316 0.73 MBOAT4 (0.41) PDE2AALDH1A1
SCHEMBL5229520 0.72 MBOAT4 (0.41) PDE2AALDH1A1
SCHEMBL5325968 0.72 MEN1 (0.40) PDE2AALDH1A1
SCHEMBL5263900 0.71 PDE2A (0.39) PDE2A
SCHEMBL7117782 0.71 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL20482747 0.71 ALDH1A1 (0.46) KDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550471-B2 5-alkyl-7-aminotriazolopyrimidines, methods and intermediary product necessary for the production thereof, agents containing said compounds and the use thereof for fighting against harmful mushrooms BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 US disclosed
EP-1585747-B1 5-ALKYL-7-AMINOTRIAZOLOPYRIMIDINES, METHODS AND INTERMEDIATES SUITABLE FOR THEIR PRODUCTION, AGENTS CONTAINING THEM AND THEIR USE FOR CONTROLLING HARMFUL FUNGI BASF AG (DE) 2006-09-13 EP disclosed
US-20050272749-A1 5-Alkyl-7-aminotriazolopyrimidines, methods and intermediary product necessary for the production thereof, agents containing said compounds and the use thereof for fighting against harmful mushrooms BASF AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
EP-1585747-A1 5-ALKYL-7-AMINOTRIAZOLOPYRIMIDINES, METHODS AND INTERMEDIARY PRODUCTS NECESSARY FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF FOR FIGHTING AGAINST HARMFUL MUSHROOMS BASF Aktiengesellschaft (DE) 2005-10-19 EP disclosed
WO-2004041825-A1 5-ALKYL-7-AMINOTRIAZOLOPYRIMIDINES, METHODS AND INTERMEDIARY PRODUCTS NECESSARY FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF FOR FIGHTING AGAINST HARMFUL MUSHROOMS BASF AKTIENGESELLSCHAFT (DE) 2004-05-21 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-20050272749-A1 5-Alkyl-7-aminotriazolopyrimidines, methods and intermediary product necessary for the production thereof, agents containing said compounds and the use thereof for fighting against harmful mushrooms ERG28, CBR3, CBR1 PDE2A 2277/4885KDM4E 3129/4885ALDH1A1 850/4885

“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.