SCHEMBL1554486

SCHEMBL1554486

CC(C)Nc1nccc(C(=CN(C)C)C(=O)c2ccc(F)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.36
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
KCNH3 Q9ULD8 1/20 0.35
RAB9A P51151 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
IDH1 O75874 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
SCHEMBL1555485 1.00 MAPK14 (0.36) MAPK14GRM5GRM1KCNH3RAB9A
SCHEMBL709768 0.83 CES1 (0.43) MAPK14KCNH3RAB9AHRH4ALDH1A1
SCHEMBL5261066 0.80 CYP1A2 (0.38) GRM5GRM1CYP1A2CYP2C19USP2
SCHEMBL5261054 0.80 CYP1A2 (0.38) GRM5GRM1CYP1A2CYP2C19USP2
SCHEMBL2054269 0.80 ALDH1A1 (0.38) RAB9AHRH4ALDH1A1IDH1
SCHEMBL2054268 0.80 ALDH1A1 (0.38) RAB9AHRH4ALDH1A1IDH1
SCHEMBL1555344 0.78 ALDH1A1 (0.38) MAPK14GRM1RAB9ACYP1A2CYP2C19
SCHEMBL1554250 0.78 ALDH1A1 (0.38) MAPK14GRM1RAB9ACYP1A2CYP2C19
SCHEMBL1554251 0.78 ALDH1A1 (0.38) MAPK14GRM1RAB9ACYP1A2CYP2C19
SCHEMBL1554487 0.76 MAPK14 (0.37) MAPK14GRM5GRM1KCNH3CYP1A2

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-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

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 1078/4885GRM5 2717/4885GRM1 3132/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN MAPK14 1078/4885GRM5 2717/4885GRM1 3132/4885

“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.