SCHEMBL1554350

SCHEMBL1554350

CC(C)Nc1nccc(CC(=O)c2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
PDE6D O43924 3/20 0.41
KRAS P01116 1/20 0.41
MAPK1 P28482 1/20 0.40
KCNH3 Q9ULD8 2/20 0.40
MAPK14 Q16539 4/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
IDH1 O75874 2/20 0.37
HTR7 P34969 2/20 0.37
ADRA1D P25100 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ACACB O00763 1/20 0.37
PTPN1 P18031 1/20 0.36
NPC1 O15118 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
SCHEMBL14561014 0.80 RAB9A (0.48) RAB9APDE6D
SCHEMBL27900652 0.79 HTR7 (0.41) PDE6DKRASMAPK1KCNH3MAPK14
SCHEMBL709768 0.76 CES1 (0.43) RAB9AMAPK1KCNH3MAPK14ALDH1A1
SCHEMBL2161557 0.75 RAB9A (0.57) RAB9AALDH1A1HPGDHTR7PTPN1
SCHEMBL1554048 0.75 RAB9A (0.54) RAB9AMAPK1MAPK14ALDH1A1HPGD
SCHEMBL2041779 0.74 GSK3B (0.41) RAB9AALDH1A1HPGDIDH1NPC1
SCHEMBL12411105 0.73 HRH4 (0.45) KCNH3MAPK14IDH1HTR7ACACB
SCHEMBL6480255 0.72 RAB9A (0.54) RAB9AALDH1A1HPGDHTR7PTPN1
SCHEMBL15357780 0.71 HRH4 (0.46) KCNH3MAPK14HTR7ACACB
SCHEMBL22387976 0.70 HRH4 (0.45) MAPK1KCNH3ALDH1A1IDH1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2784072-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784071-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784073-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784070-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
US-20130281455-A1 Phenylpyri(mi)dinylazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-24 US disclosed
EP-2486031-A2 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2012-08-15 EP disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
WO-2011042389-A2 PHENYLPYRI(MI)DINYLAZOLES BAYER CROPSCIENCE AG (DE) 2011-04-14 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-20130281455-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN RAB9A 3531/4885PDE6D 3276/4885KRAS 3259/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN RAB9A 3531/4885PDE6D 3276/4885KRAS 3259/4885

“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.