SCHEMBL14576227

SCHEMBL14576227

CCOc1ccc2nc(-c3c[nH]c(-c4ccc5scnc5c4)n3)n(CCOC)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ACSS2 Q9NR19 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ PTGER4 P35408 3/20 0.34
▸ CASR P41180 1/20 0.34
▸ MAP3K11 Q16584 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ DRD3 P35462 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2554816 0.90 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2HSD17B10RECQL
SCHEMBL2552122 0.89 PTGER4 (0.37) KDM4EALDH1A1SMN1; SMN2HSD17B10RECQL
SCHEMBL2551655 0.88 RIPK2 (0.37) KDM4EALDH1A1SMN1; SMN2HSD17B10RECQL
SCHEMBL2551037 0.88 PTGER4 (0.39) KDM4EALDH1A1SMN1; SMN2HSD17B10RECQL
SCHEMBL2555588 0.87 HPGD (0.49) KDM4EALDH1A1SMN1; SMN2HSD17B10RECQL
SCHEMBL2550197 0.86 CASR (0.36) KDM4EALDH1A1SMN1; SMN2HSD17B10RECQL
SCHEMBL12284051 0.86 PTGER4 (0.41) KDM4EALDH1A1SMN1; SMN2ACSS2HSD17B10
SCHEMBL12283704 0.85 PTGER4 (0.49) ACSS2PTGER4NPC1POLBALOX15
Hydrochloric Acid SCHEMBL2552919 0.85 PTGER4 (0.41) KDM4EALDH1A1SMN1; SMN2ACSS2HSD17B10
SCHEMBL12283818 0.85 NPC1 (0.43) KDM4EALDH1A1ACSS2HSD17B10HPGD

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-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

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 KDM4E 764/4885ALDH1A1 2664/4885SMN1; SMN2 3901/4885

“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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