SCHEMBL4922006

SCHEMBL4922006

CCOC(=O)c1cc(C)[c]cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
GABRA1 P14867 8/20 0.46
GABRG2 P18507 8/20 0.46
GABRB3 P28472 8/20 0.46
GABRA5 P31644 8/20 0.46
GABRA3 P34903 8/20 0.46
GABRA2 P47869 8/20 0.46
GABRA4 P48169 8/20 0.46
GABRA6 Q16445 8/20 0.46
GABRP O00591 6/20 0.46
GABRD O14764 6/20 0.46
GABRB1 P18505 6/20 0.46
GABRB2 P47870 6/20 0.46
GABRE P78334 6/20 0.46
GABRG1 Q8N1C3 6/20 0.46
GABRG3 Q99928 6/20 0.46
GABRQ Q9UN88 6/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46

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
SCHEMBL4930386 0.83 CYP1A2 (0.45) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4926688 0.83 CYP1A2 (0.45) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4926754 0.82 ALDH1A1 (0.41) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL26899199 0.73 GABRA1 (0.55) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL131459 0.72 CYP1A2 (0.51) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL10228362 0.71 CYP1A2 (0.50) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4930787 0.71 BAZ2B (0.43) CYP1A2ALDH1A1MAPTKDM4ENPC1
SCHEMBL1019601 0.71 CYP1A2 (0.59) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL2798644 0.71 MMP13 (0.36) CYP1A2SMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL16976879 0.71 CYP1A2 (0.50) CYP1A2GABRA1GABRG2GABRB3GABRA5

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 8 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-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
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
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 CYP1A2 35/4885GABRA1 796/4885GABRG2 1280/4885
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 CYP1A2 150/4885GABRA1 1713/4885GABRG2 2740/4885

“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.