SCHEMBL3262201

SCHEMBL3262201

c1ccc(-n2cnc3nnnc-3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NLRP3 Q96P20 1/20 0.46
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GRM5 P41594 1/20 0.36
NOTUM Q6P988 1/20 0.36
CYP3A4 P08684 1/20 0.36
CNR1 P21554 1/20 0.34
CPB2 Q96IY4 3/20 0.33
CPB1 P15086 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAP4K4 O95819 1/20 0.33
HPGD P15428 1/20 0.33
USP7 Q93009 1/20 0.32
PHF8 Q9UPP1 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL4929612 0.77 KDM4E (0.35) RAB9ANOTUMHPGDPHF8MEN1
SCHEMBL3504674 0.76 NPC1 (0.47) NPC1RAB9ANLRP3DDB1CRBN
SCHEMBL10775340 0.73 NPC1 (0.77) NPC1RAB9ANLRP3DDB1CRBN
SCHEMBL5785754 0.71 NPC1 (0.50) NPC1RAB9ANLRP3DDB1CRBN
SCHEMBL4167465 0.71 HPGDS (0.56) NPC1RAB9ACYP3A4CYP2E1CYP2A6
SCHEMBL1270312 0.70 GRM5 (0.55) NPC1RAB9ANLRP3DDB1CRBN
SCHEMBL5201498 0.70 NPC1 (0.41) NPC1RAB9ANLRP3DDB1CRBN
SCHEMBL6018254 0.69 MAPT (0.33) NPC1RAB9APHF8MEN1ALDH1A1
SCHEMBL16039276 0.69 PTGS1 (0.51) NPC1RAB9ANLRP3HPGDMEN1
SCHEMBL3824076 0.69 NPC1 (0.44) NPC1RAB9ANLRP3DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208038-A1 6-(2-Fluorophenyl)-Triazolopyrimidines, Method for Producing Them, Their use for Controlling Parasitic Fungi and Agents Containing the Same BASF AKTIENGESELLSCHAFT (DE) 2007-09-06 US claimed
EP-1732927-A2 6-(2-FLUOROPHENYL)-TRIAZOLOPYRIMIDINES, METHOD FOR PRODUCING THEM, THEIR USE FOR CONTROLLING PARASITIC FUNGI AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2006-12-20 EP claimed
WO-2005095404-A2 6-(2-FLUOROPHENYL)-TRIAZOLOPYRIMIDINES, METHOD FOR PRODUCING THEM, THEIR USE FOR CONTROLLING PARASITIC FUNGI AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2005-10-13 WO claimed
EP-0984919-B1 PROCESS FOR THE PREPARATION OF ARYLMALONATES BASF AG (DE) 2003-01-22 EP claimed
US-20100160311-A1 Fungicidal Azolopyrimidines, Process for Their Preparation and Their Use For Controlling Harmful Fungi, and Also Compositions Comprising Them BASF SE (DE) 2010-06-24 US disclosed
US-20100056371-A1 Use of Azolopyrimidines for Controlling Phytopathogenic Harmful Fungi BASF SE (DE) 2010-03-04 US disclosed
EP-2117312-A1 USE OF AZOLOPYRIMIDINES FOR FIGHTING PLANT PATHOGENIC FUNGI BASF SE (DE) 2009-11-18 EP disclosed
EP-2046794-A1 FUNGICIDAL AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME BASF SE (DE) 2009-04-15 EP disclosed
WO-2008084027-A1 USE OF AZOLOPYRIMIDINES FOR FIGHTING PLANT PATHOGENIC FUNGI BASF SE (DE) 2008-07-17 WO disclosed
WO-2008006761-A1 FUNGICIDAL AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME BASF SE (DE) 2008-01-17 WO disclosed
EP-1490372-B1 FUNGICIDAL TRIAZOLOPYRIMIDINES, METHODS FOR PRODUCING THE SAME, USE THEREOF FOR COMBATING HARMFUL FUNGI AND AGENTS CONTAINING SAID SUBSTANCES BASF AG (DE) 2008-01-16 EP disclosed
US-20070111889-A1 6-(Aminocarbonyl-phenyl)triazolopyrimidines, methods for the production thereof, use thereof for controlling harmful fungi, and substances containing the same BASF AKTIENGESELLSCHAFT (DE) 2007-05-17 US disclosed
CN-1533393-A Substituted (6-2-tolyl)-triazolopyrimidines as fungicides �����ɷ� 2004-09-29 CN disclosed
US-20040167136-A1 Substituted 6-(2-methoxyphenyl) triazolopyrimides as fungicides BASF AKTIENGESELLSCHAFT (DE) 2004-08-26 US disclosed
US-20040162286-A1 Substituted 6-(2-tolyl)-triazolopyrimidines as fungicides BASF AKTIENGESELLSCHAFT (DE) 2004-08-19 US disclosed
EP-1412359-A1 SUBSTITUTED 6-(2-TOLYL)-TRIAZOLOPYRIMIDINES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-04-28 EP disclosed
EP-1412356-A1 SUBSTITUTED 6-(2-METHOXYPHENYL)TRIAZOLOPYRIMIDINES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-04-28 EP disclosed
WO-2003008417-A9 SUBSTITUTED 6-(2-TOLYL)-TRIAZOLOPYRIMIDINES AS FUNGICIDES BASF AG (DE) 2003-10-30 WO disclosed
WO-2003008417-A1 SUBSTITUTED 6-(2-TOLYL)-TRIAZOLOPYRIMIDINES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-01-30 WO disclosed
WO-2003008416-A1 SUBSTITUTED 6-(2-METHOXYPHENYL) TRIAZOLOPYRIMIDES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-01-30 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 (6 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-20100056371-A1 Use of Azolopyrimidines for Controlling Phytopathogenic Harmful Fungi DPM1, TYMP, G6PD NPC1 2575/4885RAB9A 3531/4885NLRP3 3077/4885
US-20070208038-A1 6-(2-Fluorophenyl)-Triazolopyrimidines, Method for Producing Them, Their use for Controlling Parasitic Fungi and Agents Containing the Same CBR1, CBR3, DPM1 NPC1 762/4885RAB9A 2513/4885NLRP3 2722/4885
US-20100160311-A1 Fungicidal Azolopyrimidines, Process for Their Preparation and Their Use For Controlling Harmful Fungi, and Also Compositions Comprising Them G6PD, CYP51A1, ERG28 NPC1 2234/4885RAB9A 3120/4885NLRP3 648/4885
US-20070111889-A1 6-(Aminocarbonyl-phenyl)triazolopyrimidines, methods for the production thereof, use thereof for controlling harmful fungi, and substances containing the same CBR1, CBR3, DPM1 NPC1 1967/4885RAB9A 3944/4885NLRP3 2538/4885
US-20040162286-A1 Substituted 6-(2-tolyl)-triazolopyrimidines as fungicides CBR3, CBR1, TH NPC1 2115/4885RAB9A 3028/4885NLRP3 1782/4885
US-20040167136-A1 Substituted 6-(2-methoxyphenyl) triazolopyrimides as fungicides CBR3, CBR1, CNPY2 NPC1 2036/4885RAB9A 3603/4885NLRP3 1141/4885

“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.