SCHEMBL1004265

SCHEMBL1004265

Nc1c(-c2cc(Cl)cc(C(F)(F)F)c2)c(C(F)(F)F)nn1-c1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
GABRA2 P47869 15/20 0.43
GABRB2 P47870 15/20 0.43
GABRP O00591 14/20 0.43
GABRD O14764 14/20 0.43
GABRA1 P14867 14/20 0.43
GABRB1 P18505 14/20 0.43
GABRG2 P18507 14/20 0.43
GABRB3 P28472 14/20 0.43
GABRA5 P31644 14/20 0.43
GABRA3 P34903 14/20 0.43
GABRA4 P48169 14/20 0.43
GABRE P78334 14/20 0.43
GABRA6 Q16445 14/20 0.43
GABRG1 Q8N1C3 14/20 0.43
GABRG3 Q99928 14/20 0.43
GABRQ Q9UN88 14/20 0.43
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.35

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
SCHEMBL1818736 0.86 POLB (0.39) ADORA2AADORA1GABRA2GABRB2GABRP
SCHEMBL4435963 0.83 GABRP (0.65) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL16463019 0.83 ADORA2A (0.41) ADORA2AADORA1GABRA2GABRB2GABRP
SCHEMBL1006043 0.83 POLB (0.49) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL15527783 0.82 ADORA2A (0.39) ADORA2AADORA1GABRA2GABRB2GABRP
SCHEMBL4428924 0.82 ADORA2A (0.42) ADORA2AADORA1GABRA2GABRB2GABRP
SCHEMBL4427761 0.81 GABRP (0.50) ADORA2AADORA1GABRA2GABRB2GABRP
SCHEMBL1005105 0.81 GABRP (0.49) ADORA2AADORA1GABRA2GABRB2GABRP
SCHEMBL1008749 0.80 POLB (0.43) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL13300321 0.79 POLB (0.64) GABRA2GABRB2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629273-B2 Diazinylpyrazolyl compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US disclosed
EP-2499130-A1 NOVEL DIAZINYLPYRAZOLYL COMPOUNDS Bayer CropScience AG (DE) 2012-09-19 EP disclosed
US-20110124660-A1 Novel Diazinylpyrazolyl Compounds BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
WO-2011057984-A1 NOVEL DIAZINYLPYRAZOLYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-05-19 WO disclosed
EP-2125789-B1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2011-03-16 EP disclosed
EP-2275422-A1 Pyrimidinylpyrazoles as insecticide and parasiticide agents Bayer CropScience AG (DE) 2011-01-19 EP disclosed
US-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2010-06-10 US disclosed
US-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2010-06-10 US disclosed
US-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2010-06-10 US disclosed
EP-2125789-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS Bayer CropScience AG (DE) 2009-12-02 EP disclosed
WO-2008077483-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2008-07-03 WO disclosed
WO-2008077483-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2008-07-03 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-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS PIR, ITPA, DDT ADORA2A 2314/4885ADORA1 2093/4885GABRA2 1142/4885
US-20110124660-A1 Novel Diazinylpyrazolyl Compounds DDT, PDHX, RECQL ADORA2A 3167/4885ADORA1 2188/4885GABRA2 1139/4885

“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.