SCHEMBL14844846

SCHEMBL14844846

Fc1ccc(-c2cc3n(n2)CCCO3)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
MAPK14 Q16539 1/20 0.36
F2RL3 Q96RI0 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ACKR3 P25106 1/20 0.34
MAOA P21397 5/20 0.33
MAOB P27338 4/20 0.33
KMO O15229 2/20 0.33
MPO P05164 1/20 0.33
PIK3CA P42336 1/20 0.33
GRM5 P41594 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE4D Q08499 1/20 0.32

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
SCHEMBL16008737 0.81 MAPK14 (0.47) PDE4APDE4BPDE4CMAPK14MPO
SCHEMBL29514377 0.78 GRM5 (0.42) MAPK14GRM5
SCHEMBL29050045 0.78 GRM5 (0.42) MAPK14GRM5
SCHEMBL30605064 0.77 MAPK14 (0.43) MAPK14
SCHEMBL14844790 0.72 MAPK14 (0.47) PDE4APDE4BPDE4CMAPK14MPO
SCHEMBL30536752 0.72 PDE4B (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL25272227 0.72 KDM4E (0.41) MAPK14
SCHEMBL14844897 0.72 MPO (0.44) PDE4APDE4BPDE4CMPOGRM5
SCHEMBL30405199 0.71 CDC7 (0.46) MAPK14MPOPIK3CAGRM5
SCHEMBL24194268 0.69 PDE4B (0.47) PDE4APDE4BPDE4CMAPK14PDE4D

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 5 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
EP-2763987-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS Bayer Intellectual Property GmbH (DE) 2014-08-13 EP disclosed
WO-2013050437-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 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 (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 PDE4A 1682/4885PDE4B 1139/4885PDE4C 2003/4885

“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.