SCHEMBL16009294

SCHEMBL16009294

CCc1cnn2c(-c3ccc(F)cc3)coc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
CYP17A1 P05093 2/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
GLA P06280 1/20 0.36
STAT1 P42224 1/20 0.36
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL14844909 0.80 CYP17A1 (0.42) KDM4ECYP17A1PTGS1PTGS2STAT1
SCHEMBL22110294 0.67 PRMT5 (0.43) PTGS2SMN1; SMN2
SCHEMBL14844916 0.66 CYP17A1 (0.44) KDM4ECYP17A1PTGS1PTGS2ALDH1A1
SCHEMBL6622926 0.64 PTGS2 (0.56) PTGS1PTGS2
SCHEMBL3488413 0.63 SLC13A5 (0.46) KDM4ECYP17A1ALDH1A1NPC1RAB9A
SCHEMBL6624792 0.62 MAPK14 (0.40) PTGS1PTGS2MAPT
SCHEMBL14294336 0.62 LMNA (0.52) NPC1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL13140239 0.60 P2RX7 (0.53) KDM4EPTGS2ALDH1A1NPC1RAB9A
SCHEMBL7945448 0.60 MMP13 (0.42) HPGDGAAMEN1KMT2A
SCHEMBL16009419 0.59 MAPK14 (0.39) KDM4EPTGS2ALDH1A1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763987-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE AS FUNGICIDALS BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
US-9023844-B2 Heterocyclylpyri (mi) dinylpyrazole as fungicidals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-05 US disclosed
US-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US 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 (1 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-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS CCNY, NQO2, H1-0 KDM4E 2540/4885CYP17A1 1610/4885PTGS1 2465/4885

“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.