SCHEMBL14461516

SCHEMBL14461516

c1ccc(-c2c3cc(-c4ccc(-c5ccncc5)cc4)ccc3c(-c3ccccc3)c3c2ccc2cccnc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.43
▸ PIK3CA P42336 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ IMPDH2 P12268 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ CCR1 P32246 2/20 0.37
▸ CCR5 P51681 2/20 0.37
▸ CCR8 P51685 2/20 0.37
▸ GMNN O75496 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL14461512 0.98 MKNK1 (0.41) MKNK1PIK3CAKDM4EL3MBTL1NPC1
SCHEMBL14461454 0.95 CCR1 (0.41) MKNK1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL14461445 0.95 CCR1 (0.41) MKNK1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL14461455 0.92 CCR1 (0.39) MKNK1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL14461468 0.91 CYP17A1 (0.42) KDM4EL3MBTL1NPC1RAB9AHSD17B1
SCHEMBL14461474 0.90 CYP17A1 (0.43) KDM4EL3MBTL1NPC1RAB9AHSD17B1
SCHEMBL14461451 0.90 CYP17A1 (0.43) KDM4EL3MBTL1NPC1RAB9AHSD17B1
SCHEMBL14461513 0.90 KDM4E (0.38) MKNK1PIK3CAKDM4EL3MBTL1NPC1
SCHEMBL14461535 0.87 KDM4E (0.35) KDM4EL3MBTL1NPC1RAB9AMAPT
SCHEMBL14461471 0.87 KDM4E (0.35) KDM4EL3MBTL1NPC1RAB9AMAPT

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-9312497-B2 Heterocyclic compound, organic light-emitting diode including the heterocyclic compound, and flat display device including the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-12 — — US disclosed
US-9312497-B2 Heterocyclic compound, organic light-emitting diode including the heterocyclic compound, and flat display device including the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-12 — — US disclosed
US-20130001527-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE HETEROCYCLIC COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 — — US disclosed
US-20130001527-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE HETEROCYCLIC COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 — — 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-20130001527-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE HETEROCYCLIC COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE DDT, DLD, PPOX MKNK1 3553/4885PIK3CA 2858/4885KDM4E 2638/4885

“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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