SCHEMBL2546139

SCHEMBL2546139

COCCn1c(-c2c[nH]c(-c3ccc4scnc4c3)n2)nc2c(N3CCCCC3)nccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 1/20 0.34
▸ MAP3K11 Q16584 1/20 0.33
▸ DYRK2 Q92630 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RIPK2 O43353 2/20 0.32
▸ LCK P06239 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ DRD2 P14416 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ TTK P33981 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ PFKFB3 Q16875 1/20 0.31
▸ HTR6 P50406 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
SCHEMBL2552056 0.99 RPS6KA5 (0.35) RPS6KA5MAP3K11DYRK2KDM4ETSHR
SCHEMBL2554752 0.98 MAP3K11 (0.34) RPS6KA5MAP3K11DYRK2DRD2KDM1A
SCHEMBL2549697 0.94 MAP3K11 (0.38) MAP3K11DYRK2TSHRALDH1A1DRD2
SCHEMBL2548897 0.92 CCNT1 (0.37) TSHRALDH1A1TTK
SCHEMBL2551140 0.88 TTK (0.38) TTK
Trifluoroacetic Acid SCHEMBL14575891 0.86 CCNT1 (0.37) DYRK2ALDH1A1
SCHEMBL14616824 0.86 RIPK2 (0.40) RPS6KA5MAP3K11DYRK2KDM4ETSHR
SCHEMBL14616813 0.85 RIPK2 (0.41) RPS6KA5MAP3K11DYRK2KDM4ETSHR
SCHEMBL2551527 0.85 MTOR (0.35) —
SCHEMBL2553463 0.85 MTOR (0.35) —

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 RPS6KA5 153/4885MAP3K11 19/4885DYRK2 461/4885

“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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