SCHEMBL18327313

SCHEMBL18327313

c1ccc(-c2cc(-c3cnc4ccccc4c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 0.62
PDGFRA P16234 5/20 0.62
CYP2A6 P11509 1/20 0.58
BIRC5 O15392 1/20 0.57
MAP4K4 O95819 1/20 0.54
CSNK1G2 P78368 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
MAP4K5 Q9Y4K4 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
PIK3CD O00329 2/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CB P42338 1/20 0.51
MTOR P42345 1/20 0.51
PIK3CG P48736 1/20 0.51
MGAM O43451 1/20 0.49
NPC1 O15118 1/20 0.47

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
SCHEMBL19310448 0.98 PDGFRB (0.60) PDGFRBPDGFRACYP2A6BIRC5MAP4K4
SCHEMBL18327362 0.98 PDGFRB (0.60) PDGFRBPDGFRACYP2A6BIRC5MAP4K4
SCHEMBL12580402 0.93 PDGFRB (0.66) PDGFRBPDGFRACYP2A6BIRC5MAP4K4
SCHEMBL12580411 0.93 PDGFRB (0.66) PDGFRBPDGFRACYP2A6BIRC5MAP4K4
SCHEMBL12580362 0.93 PDGFRB (0.66) PDGFRBPDGFRACYP2A6BIRC5MAP4K4
SCHEMBL12580354 0.93 PDGFRB (0.66) PDGFRBPDGFRACYP2A6BIRC5MAP4K4
SCHEMBL12074709 0.93 PDGFRB (0.70) PDGFRBPDGFRACYP2A6BIRC5MAP4K4
SCHEMBL18325345 0.91 PDGFRB (0.53) PDGFRBPDGFRACYP2A6BIRC5MAP4K4
SCHEMBL18325231 0.91 PDGFRB (0.53) PDGFRBPDGFRACYP2A6BIRC5MAP4K4
SCHEMBL18325431 0.91 CYP2A6 (0.53) PDGFRBPDGFRACYP2A6BIRC5MAP4K4

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-9812652-B2 Cyclic azine compound having adamantyl group, production method, and organic electroluminescent device containing it as constituent component TOSOH CORPORATION (JP) 2017-11-07 US disclosed
US-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2016-12-22 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-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT CHRM1, AFF1, AZI2 PDGFRB 1953/4885PDGFRA 1365/4885CYP2A6 1219/4885

“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.