SCHEMBL1646837

SCHEMBL1646837

CC(C)(C)c1ccc(-c2c(-c3ccncc3)cnn2C2CCCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
GRM2 Q14416 1/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
S1PR1 P21453 9/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
DGAT1 O75907 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 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
SCHEMBL1648134 0.86 CYP4F2 (0.41) CYP4F2CYP4A11S1PR1RXRARXRB
SCHEMBL1555546 0.86 S1PR1 (0.47) CYP4F2CYP4A11S1PR1ALDH1A1NPC1
SCHEMBL1646330 0.83 ATR (0.49) CYP4F2CYP4A11
SCHEMBL1647633 0.83 GABBR2 (0.41) GRM2CYP4F2CYP4A11S1PR1
SCHEMBL2161461 0.83 CA2 (0.41) CYP4F2CYP4A11S1PR1
SCHEMBL2162773 0.83 ATR (0.44)
SCHEMBL1647451 0.82 DRD1 (0.40) CYP4F2CYP4A11S1PR1RXRARXRB
SCHEMBL15332967 0.82 CYP4F2 (0.42) CYP4F2CYP4A11S1PR1RXRARXRB
SCHEMBL1645147 0.80 CYP4F2 (0.47) GRM2CYP4F2CYP4A11S1PR1RXRA
SCHEMBL14336144 0.79 CYP4F2 (0.43) GRM2CYP4F2CYP4A11S1PR1RXRA

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 7 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
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 US 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 KIF11 3304/4885GRM2 3184/4885CYP4F2 527/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN KIF11 3304/4885GRM2 3184/4885CYP4F2 527/4885

“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.