SCHEMBL5905971

SCHEMBL5905971

Cc1cc(Cn2nnnc2-c2cccc(OC(F)(F)F)c2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 2/20 0.40
P2RX7 Q99572 3/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
KCNH2 Q12809 3/20 0.38
RXRA P19793 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
XDH P47989 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36

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
SCHEMBL5906459 0.84 POLB (0.74) POLBHTTL3MBTL1P2RX7GRIN1
SCHEMBL5906065 0.83 POLB (0.47) POLBHTTL3MBTL1HDAC1P2RX7
SCHEMBL5905989 0.78 ROCK2 (0.41) HDAC1KCNH2RXRAGRIN1GRIN2B
SCHEMBL5905863 0.78 POLB (0.58) POLBHTTL3MBTL1P2RX7ADORA3
SCHEMBL5906226 0.78 HTT (0.57) POLBHTTL3MBTL1P2RX7ADORA3
SCHEMBL3725786 0.74 ALDH1A1 (0.53) ADORA2AADORA1KCNH2XDHTSHR
SCHEMBL5906133 0.72 PPARD (0.48) L3MBTL1MAPT
SCHEMBL5906125 0.71 ADORA3 (0.45) POLBP2RX7ADORA3ADORA2AADORA2B
SCHEMBL5906084 0.70 P2RX7 (0.58) P2RX7LMNARAB9A
SCHEMBL6357660 0.69 POLB (1.00) POLBHTTL3MBTL1P2RX7GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522952-C Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2009-08-05 CN disclosed
US-20060223872-A1 Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-10-05 US disclosed
CN-1759105-A Phthalamide derivatives having insecticidal activity BAYER CROPSCIENCE AG (DE) 2006-04-12 CN disclosed
EP-1606271-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-12-21 EP disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 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-20060223872-A1 Insecticidal phthalamide derivatives CRYAA, PRXL2A, H1-2 POLB 4402/4885HTT 1370/4885L3MBTL1 485/4885

“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.