SCHEMBL898064

SCHEMBL898064

Cc1nc(Cl)n(-c2c(F)cccc2Cl)c1C(O)c1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.33
P2RX7 Q99572 3/20 0.32
MAPK13 O15264 2/20 0.32
MAPK12 P53778 2/20 0.32
MAPK11 Q15759 2/20 0.32
APLNR P35414 4/20 0.32
NR3C2 P08235 1/20 0.32
PDE7A Q13946 2/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL898935 0.93 NR3C2 (0.36) MAPK14P2RX7MAPK11NR3C2PDE7A
SCHEMBL899820 0.89 WNT3A (0.34) MAPK14MAPK13MAPK12MAPK11APLNR
SCHEMBL898920 0.89 NR3C2 (0.37) MAPK14MAPK13MAPK12MAPK11NR3C2
SCHEMBL898515 0.89 NR3C2 (0.32) P2RX7NR3C2
SCHEMBL899021 0.84 NR3C2 (0.34) P2RX7NR3C2
SCHEMBL899181 0.83 NR3C2 (0.31) P2RX7NR3C2
SCHEMBL899241 0.83 PDE2A (0.34) P2RX7LMNAGAAKMT2A
SCHEMBL898213 0.83 NR3C2 (0.35) MAPK14NR3C2PDE7A
SCHEMBL899633 0.82 NR3C2 (0.35) MAPK14MAPK13MAPK12MAPK11NR3C2
SCHEMBL898925 0.80 NR3C2 (0.34) MAPK14MAPK13MAPK12MAPK11NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621907-A1 FUNGICIDAL IMIDAZOLES E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP claimed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US claimed
WO-2012044650-A1 FUNGICIDAL IMIDAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-05 WO claimed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 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-20130143929-A1 FUNGICIDAL IMIDAZOLES CYP1A1, CYP1B1, CYP2E1 MAPK14 3555/4885P2RX7 961/4885MAPK13 3761/4885

“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.