SCHEMBL1553776

SCHEMBL1553776

O=C(Cc1ccccc1)Nc1cc(Br)ccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 7/20 0.74
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
RAB9A P51151 2/20 0.60
WNT3A P56704 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
DEGS1 O15121 1/20 0.54
MAPK10 P53779 4/20 0.52
GSK3A P49840 3/20 0.52
MAPK8 P45983 1/20 0.52
HIPK1 Q86Z02 1/20 0.52
SNRK Q9NRH2 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CDK5 Q00535 1/20 0.51
CCKBR P32239 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL31240723 0.88 RIOK2 (0.66) RIOK2KMT2AMEN1RAB9AWNT3A
SCHEMBL30367058 0.86 RAB9A (0.61) RIOK2KMT2AMEN1RAB9AALDH1A1
SCHEMBL25235255 0.86 RIOK2 (0.67) RIOK2KMT2AMEN1RAB9AWNT3A
SCHEMBL31240687 0.86 RIOK2 (0.67) RIOK2KMT2AMEN1RAB9AWNT3A
SCHEMBL31240823 0.85 RIOK2 (0.66) RIOK2KMT2AMEN1RAB9AMAPK10
SCHEMBL31240655 0.85 RIOK2 (0.66) RIOK2KMT2AMEN1MAPK10GSK3A
SCHEMBL31240637 0.85 RIOK2 (0.66) RIOK2KMT2AMEN1RAB9AWNT3A
SCHEMBL27926052 0.83 RIOK2 (0.63) RIOK2KMT2AMEN1RAB9AMAPK10
SCHEMBL29083803 0.82 MAPK10 (0.75) RIOK2KMT2AMEN1RAB9AWNT3A
SCHEMBL15276220 0.82 KMT2A (0.60) RIOK2KMT2AMEN1RAB9AWNT3A

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 10 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-2784070-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-2784071-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
CN-102834387-A Phenylpyri(mi)dinylpyrazoles and their use as fungicides BAYER CROPSCIENCE AG 2012-12-19 CN 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
EP-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP 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 RIOK2 2706/4885KMT2A 1070/4885MEN1 1254/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN RIOK2 2706/4885KMT2A 1070/4885MEN1 1254/4885

“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.