SCHEMBL4927320

SCHEMBL4927320

Cc1[c]c([N+](=O)[O-])cnc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28450407 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4928589 0.75
SCHEMBL4925952 0.75 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL427680 0.71
SCHEMBL220835 0.68 TSHR (0.46) ACHEHSD17B10TSHRTDP1ALDH1A1
SCHEMBL261451 0.68 TDP1 (0.45) ACHEHSD17B10TSHRTDP1ALDH1A1
SCHEMBL7274798 0.67 TSHR (0.50) ACHEHSD17B10TSHRTDP1ALDH1A1
SCHEMBL5841348 0.66
SCHEMBL9050409 0.65 TSHR (0.34) ACHEHSD17B10TSHRTDP1ALDH1A1
SCHEMBL27186888 0.65 CYP1A2 (0.36) ACHEHSD17B10TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-09-18 US disclosed
US-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 US disclosed
CN-101080409-A 7-amino-6-hetaryl-1,2,4-triazolo[1,5-a]pyrimidine compounds and the use thereof for controlling pathogenic fungi BASF AG (DE) 2007-11-28 CN disclosed
CN-101080410-A 7-amino-6-heteroaryl-1, 2, 4-triazolo [1, 5-a ] pyrimidines and their use for controlling pathogenic fungi BASF AG (DE) 2007-11-28 CN disclosed
WO-2007118844-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING HARMFUL FUNGI AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2007-10-25 WO disclosed
EP-1828191-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
EP-1828190-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLOÝ1,5-A¨PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
WO-2006066818-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
WO-2006066799-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 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-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi HINT1, PRF1, ERG28 ACHE 3514/4885HSD17B10 3339/4885TSHR 3927/4885
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi CYP8B1, CBR3, HDHD5 ACHE 4626/4885HSD17B10 929/4885TSHR 3105/4885

“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.