SCHEMBL5785754

SCHEMBL5785754

c1ccc(-n2cnc3cnnc-3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NLRP3 Q96P20 1/20 0.50
GABRG2 P18507 3/20 0.45
GABRB3 P28472 3/20 0.45
GABRA5 P31644 3/20 0.45
GABRA3 P34903 3/20 0.45
GRM5 P41594 1/20 0.39
GABRA1 P14867 2/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
PHF8 Q9UPP1 2/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
CNR1 P21554 1/20 0.36
CYP3A4 P08684 1/20 0.36
USP7 Q93009 1/20 0.35
MAOA P21397 1/20 0.34

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
SCHEMBL10775340 0.77 NPC1 (0.77) NPC1RAB9ANLRP3GABRG2GABRB3
SCHEMBL1270312 0.74 GRM5 (0.55) NPC1RAB9ANLRP3GRM5DDB1
SCHEMBL5201498 0.74 NPC1 (0.41) NPC1RAB9ANLRP3GABRG2GABRB3
SCHEMBL3262201 0.71 NPC1 (0.46) NPC1RAB9ANLRP3GRM5DDB1
SCHEMBL17279832 0.70 RAB9A (0.67) NPC1RAB9ANLRP3GABRG2GABRB3
SCHEMBL21430053 0.70 NPC1 (0.61) NPC1RAB9ANLRP3GRM5CNR1
SCHEMBL27836625 0.70 NPC1 (0.61) NPC1RAB9ANLRP3GABRG2GABRB3
SCHEMBL3504674 0.69 NPC1 (0.47) NPC1RAB9ANLRP3GRM5DDB1
SCHEMBL16039276 0.69 PTGS1 (0.51) NPC1RAB9ANLRP3KDM4EMEN1
SCHEMBL27784722 0.69 NPC1 (0.55) NPC1RAB9ANLRP3CNR1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343787-A1 6-PHENYL-PYRAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-09-17 EP claimed
WO-2002048151-A1 6-PHENYL-PYRAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-06-20 WO claimed
US-20060258685-A1 Substituted pyrazolopyrimidines, methods for the production thereof, use of the same for controlling pathogenic fungi, and agents containing said compounds BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 US disclosed
EP-1633755-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE OF THE SAME FOR CONTROLLING PATHOGENIC FUNGI, AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-03-15 EP disclosed
WO-2004106341-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE OF THE SAME FOR CONTROLLING PATHOGENIC FUNGI, AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-12-09 WO disclosed
EP-1343787-B1 6-PHENYL-PYRAZOLOPYRIMIDINES BASF AG (DE) 2004-11-10 EP disclosed
US-6730680-B2 FUNGICIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI; AGRICULTURE, PLANT DISEASES BASF AKTIENGESELLSCHAFT (DE) 2004-05-04 US disclosed
US-6730680-B2 FUNGICIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI; AGRICULTURE, PLANT DISEASES BASF AKTIENGESELLSCHAFT (DE) 2004-05-04 US disclosed
EP-1343787-A1 6-PHENYL-PYRAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-09-17 EP disclosed
EP-1343787-A1 6-PHENYL-PYRAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-09-17 EP disclosed
US-20030158190-A1 6-phenyl-pyrazolopyrimidines PEES KLAUS JUERGEN (DE) 2003-08-21 US disclosed
US-20030158190-A1 6-phenyl-pyrazolopyrimidines PEES KLAUS JUERGEN (DE) 2003-08-21 US disclosed
US-6552026-B2 Fungicides BASF AKTIENGESELLSCHAFT (DE) 2003-04-22 US disclosed
US-6552026-B2 Fungicides BASF AKTIENGESELLSCHAFT (DE) 2003-04-22 US disclosed
WO-2002048151-A1 6-PHENYL-PYRAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-06-20 WO disclosed
WO-2002048151-A1 6-PHENYL-PYRAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-06-20 WO disclosed
US-20020049318-A1 6-phenyl-pyrazolopyrimidines BASF CORPORATION (US) 2002-04-25 US disclosed
US-20020049318-A1 6-phenyl-pyrazolopyrimidines BASF CORPORATION (US) 2002-04-25 US 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 (3 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-20030158190-A1 6-phenyl-pyrazolopyrimidines CBR1, CBR3, CNPY2 NPC1 2195/4885RAB9A 3914/4885NLRP3 829/4885
US-20060258685-A1 Substituted pyrazolopyrimidines, methods for the production thereof, use of the same for controlling pathogenic fungi, and agents containing said compounds CBR1, CBR3, AKR7A2 NPC1 583/4885RAB9A 4424/4885NLRP3 708/4885
US-20020049318-A1 6-phenyl-pyrazolopyrimidines CBR1, CBR3, CNPY2 NPC1 2195/4885RAB9A 3914/4885NLRP3 829/4885

“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.