SCHEMBL4167465

SCHEMBL4167465

c1ccc(Cn2cnc3nnnc-3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.56
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4C Q9H3R0 5/20 0.51
KDM5B Q9UGL1 3/20 0.51
KDM5A P29375 2/20 0.51
PHF8 Q9UPP1 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4A O75164 2/20 0.42
CYP19A1 P11511 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP11B1 P15538 1/20 0.41

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
SCHEMBL325139 0.79 LTA4H (0.59) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL13137743 0.76 HPGDS (0.67) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL1346083 0.76 HPGDS (0.77) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL2315630 0.72 HPGDS (1.00) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL19925217 0.72 HPGDS (0.53) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL28714930 0.71 HPGDS (0.64) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL5758839 0.71 HPGDS (0.59) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL25395574 0.70 HPGDS (0.51) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL1196872 0.70 HPGDS (0.51) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL2972635 0.70 HPGDS (0.51) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6

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 13 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
US-7307172-B2 7-amino triazolopyrimidines for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2007-12-11 US disclosed
CN-1318423-C 7-amino-triazolopyrimidines for controlling harmful fungi BASF AG (DE) 2007-05-30 CN disclosed
EP-1414302-B1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AG (DE) 2007-03-21 EP 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
CN-1711263-A 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 AG (DE) 2005-12-21 CN 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
US-20050261314-A1 7-Amino triazolopyrimidines for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2005-11-24 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
CN-1535113-A 7-amino-triazolopyrimidines for controlling harmful fungi �����ɷ� 2004-10-06 CN 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
EP-1414302-A1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2004-05-06 EP disclosed
WO-2003009687-A1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2003-02-06 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 (2 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 HPGDS 2746/4885CYP3A4 1288/4885CYP2D6 1695/4885
US-20050261314-A1 7-Amino triazolopyrimidines for controlling harmful fungi POLR1C, TYR, TH HPGDS 3869/4885CYP3A4 725/4885CYP2D6 425/4885

“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.