SCHEMBL14725633

SCHEMBL14725633

Cn1cc2ccc3c(-c4ccccc4)cc4cc5c(cc(-c6ccccc6)c6ccc7cn(C)nc7c65)cc4c3c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.36
ADORA1 P30542 3/20 0.36
METAP2 P50579 1/20 0.34
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ADORA2A P29274 2/20 0.33
CREBBP Q92793 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 1/20 0.33
NSD2 O96028 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.31
MAPK1 P28482 1/20 0.31
ADORA2B P29275 1/20 0.31
ACACA Q13085 1/20 0.31
EGFR P00533 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
SCHEMBL14725643 0.90 ADORA3 (0.37) ADORA3ADORA1METAP2ADORA2AMAPT
SCHEMBL14725653 0.86 CYP11B1 (0.45) HSD17B10KDM4EALDH1A1HPGD
SCHEMBL14725637 0.85 CYP11B1 (0.39) GRM2
SCHEMBL14727473 0.84 TGFBR1 (0.42) ADORA3ADORA1ADORA2AKMT2AGRM2
SCHEMBL14725675 0.82 GPR3 (0.31) ALDH1A1HPGDMAPT
SCHEMBL14725669 0.81 SIRT2 (0.33) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL14725646 0.80 TGFBR1 (0.41) ADORA3ADORA1ADORA2AHPGDNPSR1
SCHEMBL14725649 0.80 CYP11B2 (0.41) EGFR
SCHEMBL3361879 0.72 MET (0.40) ADORA3ADORA1HSD17B10ADORA2ABRD4
SCHEMBL15910534 0.68 MAPT (0.42) ADORA3ADORA1HSD17B10KDM4EALDH1A1

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 1440/4885METAP2 4802/4885

“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.