SCHEMBL1555033

SCHEMBL1555033

Fc1cccc(F)c1-c1n[nH]cc1-c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
MAPK14 Q16539 8/20 0.43
CSNK1D P48730 4/20 0.43
CSNK1E P49674 4/20 0.43
MAP4K1 Q92918 1/20 0.38
IMPDH2 P12268 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 1/20 0.35
PIK3CD O00329 1/20 0.35
GCGR P47871 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
CHEK1 O14757 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33

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
SCHEMBL7856280 0.84 MAP4K1 (0.47) NPC1RAB9AMAPK14CSNK1DCSNK1E
SCHEMBL1848453 0.81 IMPDH2 (0.35) LMNAMAPK14CSNK1DCSNK1EMAP4K1
SCHEMBL5451902 0.79 IMPDH2 (0.44) LMNAMAPK14CSNK1DIMPDH2MAPK1
SCHEMBL5255773 0.78 MAPK14 (0.53) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5256518 0.78 NOTUM (0.52) NPC1RAB9AMAPK14CSNK1DIMPDH2
SCHEMBL1554633 0.77 MAPK14 (0.53) MAPK14CSNK1DCSNK1EGCGRMAPK13
SCHEMBL6077530 0.77 MAPK14 (0.53) MAPK14CSNK1DCSNK1EGCGRMAPK13
SCHEMBL2649168 0.76 LMNA (0.58) NPC1RAB9ALMNAMAPK14CSNK1D
SCHEMBL5348452 0.76 CYP11B2 (0.44) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL27833457 0.76 IMPDH2 (0.44) MAPK14MAP4K1IMPDH2MAPK1HSD17B10

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-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
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
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
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 NPC1 3221/4885RAB9A 3531/4885LMNA 2389/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN NPC1 3221/4885RAB9A 3531/4885LMNA 2389/4885

“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.