SCHEMBL14616489

SCHEMBL14616489

CCOC(=O)c1cc(-c2cc(C)ccn2)nc(-c2cc(CC)ccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 11/20 0.55
PIK3CA P42336 1/20 0.44
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
METAP1 P53582 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL16139810 0.89 JMJD6 (0.51) JMJD6PIK3CAMEN1NPC1RAB9A
SCHEMBL12958351 0.88 JMJD6 (0.53) JMJD6PIK3CAMEN1NPC1RAB9A
SCHEMBL13119710 0.88 JMJD6 (0.66) JMJD6PIK3CACCR1CCR5CCR8
SCHEMBL12893308 0.86 JMJD6 (0.67) JMJD6PIK3CACA12CA1CA2
SCHEMBL16139799 0.86 JMJD6 (0.51) JMJD6PIK3CAMEN1NPC1RAB9A
SCHEMBL2688111 0.85 JMJD6 (0.68) JMJD6PIK3CAMEN1NPC1RAB9A
SCHEMBL12958414 0.83 JMJD6 (0.46) JMJD6MEN1NPC1RAB9AKMT2A
SCHEMBL12958319 0.82 JMJD6 (0.45) JMJD6MEN1NPC1RAB9AKMT2A
SCHEMBL3442984 0.81 JMJD6 (0.49) JMJD6PIK3CA
SCHEMBL6414485 0.81 JMJD6 (0.49) JMJD6PIK3CA

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-8580961-B2 2-phenyl-6-azolylpyridine-based ligand and group VIII transition metal complex NATIONAL TSING HUA UNIVERSITY (TW) 2013-11-12 US disclosed
US-20130018189-A1 2-PHENYL-6-AZOLYLPYRIDINE-BASED LIGAND AND GROUP VIII TRANSITION METAL COMPLEX NATIONAL TSING HUA UNIVERSITY (TW) 2013-01-17 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-20130018189-A1 2-PHENYL-6-AZOLYLPYRIDINE-BASED LIGAND AND GROUP VIII TRANSITION METAL COMPLEX C1S, H1-10, INTS6 JMJD6 483/4885PIK3CA 2878/4885CCR1 224/4885

“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.