SCHEMBL14329633

SCHEMBL14329633

c1cnc2c3c4ccc5cc6c(c7ccc(cc3n(-c3cc(-c8ccncc8)cc(-c8ccncc8)c3)c2c1)c4c57)c1ncccc1n6-c1cc(-c2ccncc2)cc(-c2ccncc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPK10 P53779 4/20 0.33
▸ MAPK14 Q16539 3/20 0.33
▸ CYP2C9 P11712 1/20 0.31
▸ PIK3R2 O00459 5/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ MAPK9 P45984 3/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ MTOR P42345 2/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ GMNN O75496 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL14329602 0.92 GRM5 (0.37) L3MBTL1KDM4ENPC1RAB9AMAPK10
SCHEMBL14329590 0.91 TOP1 (0.34) L3MBTL1KDM4ENPC1RAB9AMTOR
SCHEMBL14329618 0.90 KDM4E (0.33) L3MBTL1KDM4ENPC1RAB9AMAPK10
SCHEMBL14329583 0.84 ALDH1A1 (0.35) L3MBTL1KDM4EHSP90AA1MMP2MAPT
SCHEMBL14329571 0.83 KDM4E (0.40) L3MBTL1KDM4EMTORGMNNLMNA
SCHEMBL14329644 0.82 NPC1 (0.33) L3MBTL1KDM4ENPC1RAB9AMAPK14
SCHEMBL14330504 0.82 ALDH1A1 (0.33) L3MBTL1KDM4ETSHR
SCHEMBL14329605 0.81 KDM4E (0.41) L3MBTL1KDM4EMTORGMNNLMNA
SCHEMBL14329610 0.80 ALDH1A1 (0.33) L3MBTL1KDM4EMTORGMNNLMNA
SCHEMBL14329597 0.80 MAPK10 (0.38) L3MBTL1KDM4EMAPK10MAPK9MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — US disclosed
US-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — 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-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D L3MBTL1 1328/4885KDM4E 3157/4885NPC1 2213/4885

“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.

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