SCHEMBL14330520

SCHEMBL14330520

c1ccc(-n2c3cccnc3c3c4ccc5ccc(-c6cccc(-c7ccncc7)n6)c6ccc(cc32)c4c56)cc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR5 O60602 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TOP1 P11387 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ GRM5 P41594 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL14330600 0.84 DYRK1A (0.39) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL14330564 0.84 DYRK1A (0.34) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL14329644 0.82 NPC1 (0.33) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL14329571 0.82 KDM4E (0.40) MAPTKDM4EALDH1A1MAPK1CYP3A4
SCHEMBL14330518 0.82 NPC1 (0.34) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL14330504 0.82 ALDH1A1 (0.33) KDM4EALDH1A1TOP1CYP2C19
SCHEMBL14330515 0.81 ALDH1A1 (0.33) KDM4EALDH1A1TOP1CYP2C19KMT2A
SCHEMBL14329618 0.81 KDM4E (0.33) MAPTKDM4ECYP3A4CYP2D6HTT
SCHEMBL14329602 0.80 GRM5 (0.37) KDM4EALDH1A1GRM5CYP2C9
SCHEMBL14330501 0.79 KDM4E (0.37) KDM4EALDH1A1CYP2C19

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-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 — — US disclosed
US-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 — — US disclosed
US-20120326134-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-20120326134-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-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D TLR5 1848/4885MAPT 1026/4885KDM4E 3157/4885

“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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