SCHEMBL1554460

SCHEMBL1554460

CC(C)n1ncc(-c2ccncc2)c1-c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
NFATC1 O95644 1/20 0.38
MAP3K5 Q99683 2/20 0.37
MAPK14 Q16539 3/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
S1PR1 P21453 2/20 0.35
KDR P35968 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL1646948 0.87 RIPK3 (0.36) NPC1RAB9ALMNAGSK3BDYRK1A
SCHEMBL1646195 0.80 S1PR1 (0.52) NPC1RAB9ALMNAGSK3BDYRK1A
SCHEMBL2051286 0.75 DYRK1A (0.36) NPC1RAB9AGSK3BDYRK1ANFATC1
SCHEMBL1648133 0.74 S1PR1 (0.40) NPC1RAB9ALMNAGSK3BDYRK1A
SCHEMBL1646288 0.73 S1PR1 (0.47) NPC1RAB9ALMNAS1PR1ALDH1A1
SCHEMBL1647081 0.73 S1PR1 (0.50) NPC1RAB9ALMNAS1PR1ALDH1A1
SCHEMBL23063315 0.72 DYRK1A (0.43) NPC1RAB9AGSK3BDYRK1ANFATC1
SCHEMBL1554947 0.71 MAPK14 (0.43) NPC1RAB9ALMNAGSK3BDYRK1A
SCHEMBL1645202 0.71 PTGS1 (0.44) NPC1RAB9ALMNAGSK3BDYRK1A
SCHEMBL14335716 0.70 DYRK1A (0.37) GSK3BDYRK1ANFATC1MAP3K5MAPK14

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-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-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
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.