SCHEMBL22673701

SCHEMBL22673701

c1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)nc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ AKT1 P31749 1/20 0.52
▸ AKT2 P31751 1/20 0.52
▸ ADRA1B P35368 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ MARK4 Q96L34 2/20 0.42

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
SCHEMBL24479001 0.97 AKT1 (0.53) NPC1RAB9AAKT1AKT2ADRA1B
SCHEMBL24479298 0.97 AKT1 (0.53) NPC1RAB9AAKT1AKT2ADRA1B
SCHEMBL24479287 0.96 AKT1 (0.52) NPC1RAB9AAKT1AKT2ADRA1B
SCHEMBL22673582 0.94 NPC1 (0.51) NPC1RAB9AAKT1AKT2ADRA1B
SCHEMBL25789133 0.94 NPC1 (0.48) NPC1RAB9AAKT1AKT2ADRA1B
SCHEMBL25789113 0.94 AKT1 (0.52) NPC1RAB9AAKT1AKT2ADRA1B
SCHEMBL22673606 0.94 AKT1 (0.52) NPC1RAB9AAKT1AKT2ADRA1B
SCHEMBL24478989 0.93 AKT2 (0.55) NPC1RAB9AAKT1AKT2ADRA1B
SCHEMBL24479002 0.93 AKT2 (0.55) NPC1RAB9AAKT1AKT2ADRA1B
SCHEMBL24479459 0.93 AKT2 (0.55) NPC1RAB9AAKT1AKT2ADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169661-A1 IMIDAZO NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2022-06-02 — — US disclosed
WO-2020228430-A1 IMIDAZO NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 广东阿格蕾雅光电材料有限公司 2020-11-19 — — WO 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-20220169661-A1 IMIDAZO NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF HCN4, IPO8, HCN1 NPC1 461/4885RAB9A 1834/4885AKT1 2630/4885

“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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