SCHEMBL1554489

SCHEMBL1554489

O=C(Cc1ccncc1)c1c(F)cccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.51
JAK1 P23458 2/20 0.51
TYK2 P29597 2/20 0.51
HTT P42858 2/20 0.51
NOD2 Q9HC29 1/20 0.51
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MAPK7 Q13164 2/20 0.45
MAPK14 Q16539 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP19A1 P11511 2/20 0.44
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
DNMT3B Q9UBC3 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL1156959 0.78 CES2 (0.50) HTTCES2CES1ALDH1A1MAPT
SCHEMBL1845637 0.74 TDP1 (0.41) HTTALDH1A1CYP19A1HSD17B10GAA
SCHEMBL2645324 0.73 LTA4H (0.58) HTTCES2CES1MAPK14ALDH1A1
SCHEMBL6203734 0.72 ALDH1A1 (0.55) ALDH1A1CYP19A1GAAMAPTLMNA
SCHEMBL5353997 0.72 NAMPT (0.51) CES2CES1ALDH1A1MAPTLMNA
SCHEMBL31602763 0.72 TDP1 (0.53) HTTCES2CES1ALDH1A1MAPT
SCHEMBL1157353 0.72 ALDH1A1 (0.66) HTTCES1ALDH1A1SMN1; SMN2CYP19A1
Hydrochloric Acid SCHEMBL5253545 0.71 LTA4H (0.56) HTTMAPK14ALDH1A1SMN1; SMN2MAPT
SCHEMBL1715550 0.70 PLK1 (0.62) JAK2JAK1TYK2HTTNOD2
SCHEMBL21681419 0.70 HPGD (0.52) CES2CES1ALDH1A1SMN1; SMN2RAB9A

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-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-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-2784070-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 JAK2 1059/4885JAK1 2197/4885TYK2 1729/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN JAK2 1059/4885JAK1 2197/4885TYK2 1729/4885

“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.