SCHEMBL12283818

SCHEMBL12283818

COCCn1c(-c2c[nH]c(-c3ccc4scnc4c3)n2)nc2ccc(C(=O)OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTGER4 P35408 9/20 0.43
▸ ACSS2 Q9NR19 2/20 0.39
▸ RIPK2 O43353 1/20 0.38
▸ WNT1 P04628 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ MC4R P32245 1/20 0.37
▸ TGFBR1 P36897 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL2552835 0.94 PTGER4 (0.50) NPC1POLBALOX15MAPK1RAB9A
SCHEMBL12283704 0.93 PTGER4 (0.49) NPC1POLBALOX15MAPK1RAB9A
SCHEMBL2554816 0.88 KDM4E (0.37) NPC1POLBALOX15MAPK1RAB9A
SCHEMBL2552122 0.87 PTGER4 (0.37) NPC1POLBALOX15MAPK1RAB9A
SCHEMBL12286944 0.87 PTGER4 (0.51) PTGER4RIPK2WNT1GSK3BDYRK1A
SCHEMBL2550896 0.86 PTGER4 (0.51) PTGER4RIPK2
SCHEMBL2551655 0.86 RIPK2 (0.37) NPC1POLBALOX15MAPK1RAB9A
SCHEMBL2551037 0.86 PTGER4 (0.39) NPC1POLBALOX15MAPK1RAB9A
SCHEMBL12284849 0.86 PTGER4 (0.49) NPC1POLBALOX15MAPK1RAB9A
SCHEMBL2555588 0.85 HPGD (0.49) NPC1RAB9APTGER4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 — — US claimed
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 — — US disclosed
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 — — US disclosed
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 — — US disclosed
WO-2011123609-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-10-06 — — 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-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K3 NPC1 3623/4885POLB 1567/4885ALOX15 4875/4885

“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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