SCHEMBL1554892

SCHEMBL1554892

CSc1nccc(-c2cn(C(C)C)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 2/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
MAPK14 Q16539 11/20 0.49
CSNK1D P48730 5/20 0.48
JAK3 P52333 1/20 0.48
MAP4K4 O95819 1/20 0.44
EGFR P00533 1/20 0.44
FRK P42685 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1A1 P48729 1/20 0.44
MAPK11 Q15759 3/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1554557 0.83 MAPK14 (0.60) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL2049303 0.80 MAPK14 (0.46) MAPK14CSNK1DMAP4K4EGFRFRK
SCHEMBL18626061 0.80 LMNA (0.44) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL31443340 0.80 BRAF (0.41) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL1554769 0.79 BRAF (0.46) MAPK14MAP4K4EGFRFRKMAPK9
SCHEMBL8233952 0.79 LMNA (0.43) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL12850039 0.79 LMNA (0.43) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL2978773 0.78 MAPK14 (0.46) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL27883368 0.77 MAP4K4 (0.41) CSNK1EMAPK14CSNK1DMAP4K4EGFR
SCHEMBL16105478 0.77 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 CSNK1E 3451/4885CCNA2 1366/4885CDK2 1287/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN CSNK1E 3451/4885CCNA2 1366/4885CDK2 1287/4885

“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.