SCHEMBL4242541

SCHEMBL4242541

Nc1ccc(-c2cc(Cc3cccc(COc4ccccn4)c3F)no2)c(N)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.36
HDAC6 Q9UBN7 1/20 0.32
F10 P00742 1/20 0.32
ADORA2A P29274 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
GRM3 Q14832 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
SCHEMBL509941 0.85 HDAC1 (0.37) GRM5HDAC6NPC1CYP2C19
SCHEMBL30518369 0.83 ALDH1A1 (0.39) GRM5HDAC6F10MEN1KMT2A
SCHEMBL1106860 0.83 ALDH1A1 (0.39) GRM5HDAC6F10MEN1KMT2A
SCHEMBL4242550 0.80 CDC7 (0.30) F10
SCHEMBL1106877 0.80 CDC7 (0.35) GRM5F10MEN1KMT2ANPC1
SCHEMBL509693 0.77 MEN1 (0.41) F10MEN1KMT2A
SCHEMBL510391 0.77 MAP4K4 (0.39) F10MEN1KMT2ANPC1RAB9A
SCHEMBL1106873 0.76 HDAC1 (0.38) GRM5HDAC6F10MEN1KMT2A
SCHEMBL510348 0.75 MAOB (0.46) HDAC6MEN1KMT2ARAB9A
SCHEMBL15189758 0.75 HDAC1 (0.38) GRM5HDAC6F10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 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-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME ERG28, H1-2, H1-3 GRM5 4286/4885HDAC6 1263/4885F10 1875/4885

“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.