SCHEMBL14725646

SCHEMBL14725646

COc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)c5ccc6cn(C)nc6c54)cc3c3c2ccc2cn(C)nc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
MAPK14 Q16539 1/20 0.41
GRM2 Q14416 1/20 0.40
CFTR P13569 1/20 0.38
CNR1 P21554 1/20 0.38
F2RL3 Q96RI0 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MAOB P27338 2/20 0.36
ACACA Q13085 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34

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
SCHEMBL14727473 0.95 TGFBR1 (0.42) TGFBR1MAPK14GRM2F2RL3PDE10A
SCHEMBL14725633 0.80 ADORA3 (0.36) GRM2ACACAEGFRKMT2AADORA3
SCHEMBL14725637 0.75 CYP11B1 (0.39) GRM2PDE10AKDR
SCHEMBL14725653 0.73 CYP11B1 (0.45) PDE10AHPGD
SCHEMBL14725643 0.72 ADORA3 (0.37) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL15461863 0.72 MAOB (0.40) GRM2MAOBACACAEGFRKDR
SCHEMBL14725675 0.72 GPR3 (0.31) RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL14725669 0.71 SIRT2 (0.33) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL14725644 0.69 ALDH1A1 (0.44) GRM2CNR1MAOBACACAKMT2A
SCHEMBL28884088 0.68 ACACA (0.46) GRM2MAOBACACAKMT2AMEN1

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-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

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 TGFBR1 1887/4885MAPK14 1169/4885GRM2 3664/4885

“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.