SCHEMBL14725643

SCHEMBL14725643

Cn1cc2ccc3c(-c4cnc(-c5ccccc5)nc4)cc4cc5c(cc(-c6cnc(-c7ccccc7)nc6)c6ccc7cn(C)nc7c65)cc4c3c2n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.37
ADORA1 P30542 3/20 0.37
HPGDS O60760 7/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
ADORA2A P29274 2/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
ADORA2B P29275 1/20 0.32
GSK3B P49841 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
METAP2 P50579 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
SCHEMBL14725633 0.90 ADORA3 (0.36) ADORA3ADORA1ADORA2AMAPTADORA2B
SCHEMBL14725653 0.82 CYP11B1 (0.45)
SCHEMBL14725637 0.79 CYP11B1 (0.39) GSK3B
SCHEMBL14725649 0.76 CYP11B2 (0.41)
SCHEMBL14725675 0.76 GPR3 (0.31) RAB9ASMN1; SMN2MAPT
SCHEMBL14727473 0.76 TGFBR1 (0.42) ADORA3ADORA1RAB9AADORA2A
SCHEMBL14725669 0.75 SIRT2 (0.33) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14725646 0.72 TGFBR1 (0.41) ADORA3ADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL14725641 0.69 NPC1 (0.39) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL14725642 0.68 NPC1 (0.38) HPGDSNPC1RAB9ASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255084-B2 Heterocyclic compound and organic light-emitting device containing the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-09 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 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-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME TRPC1, TRPC4, TRPC6 ADORA3 1912/4885ADORA1 1440/4885HPGDS 1931/4885

“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.