SCHEMBL1829217

SCHEMBL1829217

Cc1cc(Cn2nnn(-c3ccc(C(F)(F)F)cc3)c2=O)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.45
PPARA Q07869 12/20 0.45
PPARG P37231 8/20 0.45
ROCK2 O75116 4/20 0.40
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
PKM P14618 1/20 0.37
PKLR P30613 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL5906397 0.97 ROCK2 (0.45) PPARDPPARAPPARGROCK2
SCHEMBL1827020 0.91 PPARG (0.39) PPARDPPARAPPARGROCK2ADORA3
SCHEMBL5906392 0.91 ROCK2 (0.43) PPARDPPARAPPARGROCK2ADORA3
SCHEMBL1829886 0.88 PPARG (0.44) PPARDPPARAPPARG
SCHEMBL5906188 0.87 ROCK2 (0.48) PPARDPPARAPPARGROCK2ADORA3
SCHEMBL5906424 0.87 ROCK2 (0.38) PPARDPPARAPPARGROCK2ADORA3
SCHEMBL5906074 0.87 ROCK2 (0.41) PPARDPPARAPPARGROCK2ADORA3
SCHEMBL5906232 0.87 ROCK2 (0.38) PPARDPPARAPPARGROCK2ADORA3
SCHEMBL5906426 0.86 PPARD (0.44) PPARDPPARAPPARGROCK2HTR2C
SCHEMBL5906339 0.86 ROCK2 (0.40) PPARDPPARAPPARGROCK2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed
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 (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-20060223872-A1 Insecticidal phthalamide derivatives CRYAA, PRXL2A, H1-2 PPARD 3684/4885PPARA 2780/4885PPARG 4018/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 PPARD 1804/4885PPARA 2470/4885PPARG 3447/4885

“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.