SCHEMBL2549697

SCHEMBL2549697

COCCn1c(-c2c[nH]c(-c3ccc4scnc4c3)n2)nc2c(N3CCN(C)CC3)nccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 1/20 0.38
▸ IKBKB O14920 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ KCNH2 Q12809 3/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ DYRK2 Q92630 3/20 0.33
▸ TTK P33981 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ CYP1A2 P05177 4/20 0.32
▸ HSD17B10 Q99714 4/20 0.32
▸ CASP1 P29466 3/20 0.32
▸ CASP7 P55210 3/20 0.32
▸ USP2 O75604 3/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL2554752 0.95 MAP3K11 (0.34) MAP3K11KCNH2DYRK2DRD2DRD3
SCHEMBL2552056 0.95 RPS6KA5 (0.35) MAP3K11KCNH2DYRK2TTKDRD2
SCHEMBL2546139 0.94 RPS6KA5 (0.34) MAP3K11KCNH2DYRK2TTKDRD2
SCHEMBL2548897 0.92 CCNT1 (0.37) TTKALDH1A1CYP1A2HSD17B10CASP1
SCHEMBL2551140 0.88 TTK (0.38) TTK
Trifluoroacetic Acid SCHEMBL14575891 0.86 CCNT1 (0.37) MCL1DYRK2ALDH1A1CYP1A2HSD17B10
SCHEMBL14616825 0.86 RIPK2 (0.40) MAP3K11IKBKBCHUKKCNH2MCL1
SCHEMBL2553463 0.85 MTOR (0.35) —
SCHEMBL2551527 0.85 MTOR (0.35) —
SCHEMBL2551978 0.84 BRD4 (0.36) MAP3K11ALDH1A1CYP1A2HSD17B10CASP1

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 MAP3K11 19/4885IKBKB 233/4885CHUK 144/4885

“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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