SCHEMBL5905970

SCHEMBL5905970

Cc1cc(Cn2nnn(-c3ccccc3)c2=O)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.46
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
SKP2 Q13309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 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
SCHEMBL5906074 0.90 ROCK2 (0.41) ROCK2ADORA3ADORA2AADORA2BADORA1
SCHEMBL5906254 0.89 MAPT (0.43) ROCK2ADORA3ADORA2AADORA2BADORA1
SCHEMBL5906339 0.89 ROCK2 (0.40) ROCK2ADORA3ADORA2AADORA2BADORA1
SCHEMBL5906022 0.88 ADORA3 (0.39) ROCK2ADORA3ADORA2AADORA2BADORA1
SCHEMBL5906041 0.88 POLB (0.43) ROCK2ADORA3ADORA2AADORA2BADORA1
SCHEMBL5906188 0.88 ROCK2 (0.48) ROCK2ADORA3ADORA2AADORA2BADORA1
SCHEMBL5906249 0.87 ROCK2 (0.49) ROCK2ADORA3ADORA2AADORA2BADORA1
SCHEMBL5906235 0.87 TSHR (0.50) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL5906139 0.86 ADORA3 (0.39) ROCK2ADORA3ADORA2AADORA2BADORA1
SCHEMBL5906320 0.86 ADORA3 (0.39) ROCK2ADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223872-A1 Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-10-05 US 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 ROCK2 1976/4885ADORA3 2149/4885ADORA2A 2889/4885

“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.