SCHEMBL1007170

SCHEMBL1007170

CNc1c(-c2ccc(Br)cc2)c(C(F)(F)F)nn1-c1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 6/20 0.47
NPSR1 Q6W5P4 1/20 0.43
GLA P06280 1/20 0.40
POLB P06746 3/20 0.38
LMNA P02545 2/20 0.38
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 1/20 0.32

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
SCHEMBL13300341 0.88 POLB (0.50) KDM4EMAPTGLAPOLBLMNA
SCHEMBL12952580 0.84 KDM4E (0.43) KDM4EMAPTNPSR1GLAPOLB
SCHEMBL1005169 0.82 POLB (0.49) KDM4EMAPTNPSR1GLAPOLB
SCHEMBL30952804 0.78 GLA (0.34) KDM4EMAPTGLAPOLBLMNA
SCHEMBL12833382 0.76 KDM4E (0.50) KDM4EMAPTNPSR1GLALMNA
SCHEMBL13300342 0.74 POLB (0.47) KDM4EMAPTNPSR1GLAPOLB
SCHEMBL1007242 0.74 SMN1; SMN2 (0.39) KDM4EMAPTNPSR1GLAPOLB
SCHEMBL13300323 0.71 POLB (0.52) KDM4EMAPTGLAPOLBNPC1
SCHEMBL1008271 0.70 POLB (0.38) POLBPTGS2
SCHEMBL13300343 0.70 NPC1 (0.45) KDM4EMAPTNPSR1GLAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275422-A1 Pyrimidinylpyrazoles as insecticide and parasiticide agents Bayer CropScience AG (DE) 2011-01-19 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
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 (1 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 KDM4E 2464/4885MAPT 4053/4885NPSR1 3987/4885

“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.