SCHEMBL14461515

SCHEMBL14461515

c1ccc(-c2c3cc(-c4ccc(-c5cn6ccccc6n5)cc4)ccc3c(-c3ccccc3)c3c2ccc2cccnc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.43
▸ NPC1 O15118 10/20 0.43
▸ KDM4E B2RXH2 10/20 0.43
▸ POLB P06746 1/20 0.43
▸ GFER P55789 3/20 0.42
▸ ALDH1A1 P00352 8/20 0.41
▸ PKM P14618 5/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ ALDH1A3 P47895 2/20 0.40
▸ ALDH1A2 O94788 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL14461520 0.88 ALDH1A1 (0.55) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL13486385 0.85 RAB9A (0.57) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL23784951 0.84 RAB9A (0.56) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL10353300 0.84 RAB9A (0.56) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL14461454 0.84 CCR1 (0.41) RAB9ANPC1KDM4EPOLBALDH1A1
SCHEMBL14461445 0.84 CCR1 (0.41) RAB9ANPC1KDM4EPOLBALDH1A1
SCHEMBL14461455 0.82 CCR1 (0.39) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL14461468 0.81 CYP17A1 (0.42) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL14461516 0.80 MKNK1 (0.43) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18999385 0.80 RAB9A (0.53) RAB9ANPC1KDM4EPOLBGFER

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 RAB9A 2197/4885NPC1 1848/4885KDM4E 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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