SCHEMBL14461513

SCHEMBL14461513

c1ccc(-c2c3cc(-c4cccc(-c5ccncc5)n4)ccc3c(-c3ccccc3)c3c2ccc2cccnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RAB9A P51151 3/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ AR P10275 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TOP1 P11387 5/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ GSK3B P49841 1/20 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
SCHEMBL14461512 0.90 MKNK1 (0.41) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL14461516 0.90 MKNK1 (0.43) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL14461445 0.84 CCR1 (0.41) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL14461454 0.84 CCR1 (0.41) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL14461514 0.84 TOP1 (0.41) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL12578043 0.83 CCR1 (0.36) KDM4EMAPTHPGDRAB9AMEN1
SCHEMBL13658686 0.83 KMT2A (0.48) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL14461455 0.82 CCR1 (0.39) KDM4EMAPTRAB9ANPC1CYP3A4
SCHEMBL14461474 0.82 CYP17A1 (0.43) KDM4EALDH1A1MAPTRAB9AHSD17B1
SCHEMBL14461451 0.82 CYP17A1 (0.43) KDM4EALDH1A1MAPTRAB9AHSD17B1

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 KDM4E 2638/4885ALDH1A1 31/4885MAPT 1565/4885

“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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