SCHEMBL2555588

SCHEMBL2555588

COCCn1c(-c2c[nH]c(-c3ccc4scnc4c3)n2)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CASR P41180 1/20 0.47
▸ PTGER4 P35408 4/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ TSHR P16473 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MYC P01106 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ AR P10275 2/20 0.38
▸ NSD2 O96028 1/20 0.38

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) HPGDKDM4EHSD17B10ALDH1A1RECQL
SCHEMBL14576676 0.89 KDM4E (0.37) HPGDKDM4EHSD17B10ALDH1A1RECQL
SCHEMBL2552122 0.89 PTGER4 (0.37) HPGDKDM4EHSD17B10ALDH1A1RECQL
SCHEMBL2551655 0.89 RIPK2 (0.37) HPGDKDM4EHSD17B10ALDH1A1RECQL
SCHEMBL2551037 0.89 PTGER4 (0.39) HPGDKDM4EHSD17B10ALDH1A1RECQL
SCHEMBL2550186 0.89 CASR (0.39) HPGDKDM4EHSD17B10ALDH1A1RECQL
SCHEMBL2552155 0.89 PTGER4 (0.47) HPGDKDM4EHSD17B10ALDH1A1RECQL
SCHEMBL2548914 0.88 TP53 (0.39) HPGDKDM4EHSD17B10ALDH1A1RECQL
SCHEMBL14576508 0.87 PTGER4 (0.37) HPGDKDM4EHSD17B10ALDH1A1RECQL
SCHEMBL14576227 0.87 KDM4E (0.39) HPGDKDM4EHSD17B10ALDH1A1RECQL

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
EP-2552208-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 — — EP 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 HPGD 3449/4885KDM4E 764/4885HSD17B10 3817/4885

“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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