SCHEMBL1554557

SCHEMBL1554557

CC(C)n1cc(-c2ccnc(N)n2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.60
BRAF P15056 2/20 0.54
CSNK1E P49674 3/20 0.47
CCNT1 O60563 2/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CDK9 P50750 2/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
HASPIN Q8TF76 1/20 0.47
EGFR P00533 2/20 0.46
MAP4K4 O95819 1/20 0.46
FRK P42685 1/20 0.46
MAPK9 P45984 1/20 0.46
CSNK1A1 P48729 1/20 0.46
MAPK13 O15264 1/20 0.45
CSNK1D P48730 1/20 0.45
MAPK12 P53778 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPK11 Q15759 1/20 0.45

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
SCHEMBL22789740 0.85 MAP4K4 (0.64) MAPK14CSNK1ECCNT1CCNA2CDK2
SCHEMBL16105409 0.83 MAPK14 (0.53) MAPK14CSNK1ECCNT1CCNA2CDK2
SCHEMBL1554892 0.83 CSNK1E (0.50) MAPK14BRAFCSNK1ECCNA2CDK2
SCHEMBL2049303 0.82 MAPK14 (0.46) MAPK14BRAFEGFRMAP4K4FRK
SCHEMBL1554769 0.81 BRAF (0.46) MAPK14BRAFEGFRMAP4K4FRK
SCHEMBL16105478 0.81 BRAF (0.47) MAPK14BRAF
SCHEMBL27883368 0.79 MAP4K4 (0.41) MAPK14BRAFCSNK1EEGFRMAP4K4
SCHEMBL29527289 0.79 BRAF (0.49) MAPK14BRAFCCNT1CCNA2CDK2
SCHEMBL1555080 0.79 CSNK1D (0.49) MAPK14BRAFCSNK1EEGFRMAP4K4
SCHEMBL1554776 0.78 BRAF (0.47) MAPK14BRAF

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
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-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
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

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 MAPK14 1078/4885BRAF 1172/4885CSNK1E 3451/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN MAPK14 1078/4885BRAF 1172/4885CSNK1E 3451/4885

“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.