SCHEMBL2551978

SCHEMBL2551978

COCCn1c(-c2c[nH]c(-c3ccc4scnc4c3)n2)nc2c(N3CCOCC3)nc(C)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.36
▸ GAK O14976 2/20 0.35
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ ALDH1A1 P00352 7/20 0.33
▸ HSD17B10 Q99714 7/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ CYP1A2 P05177 6/20 0.33
▸ CASP1 P29466 5/20 0.33
▸ CASP7 P55210 5/20 0.33
▸ USP2 O75604 4/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ SYK P43405 2/20 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
SCHEMBL2548897 0.92 CCNT1 (0.37) BRD4GAKCCNT1CDK9ALDH1A1
SCHEMBL2552283 0.87 BRD4 (0.36) BRD4CCNT1CDK9ALDH1A1HSD17B10
SCHEMBL14616820 0.87 RIPK2 (0.39) BRD4GAKALDH1A1HSD17B10KDM4E
Trifluoroacetic Acid SCHEMBL14575891 0.86 CCNT1 (0.37) BRD4CCNT1CDK9ALDH1A1HSD17B10
SCHEMBL2552056 0.85 RPS6KA5 (0.35) ALDH1A1KDM4ETSHRMAP3K11PFKFB3
SCHEMBL2554752 0.85 MAP3K11 (0.34) CCNT1CDK9MAP3K11
SCHEMBL2549697 0.84 MAP3K11 (0.38) ALDH1A1HSD17B10CYP1A2CASP1CASP7
SCHEMBL2546139 0.84 RPS6KA5 (0.34) ALDH1A1KDM4ETSHRMAP3K11PFKFB3
SCHEMBL2551140 0.83 TTK (0.38) BRD4GAKCCNT1CDK9SYK
SCHEMBL2551527 0.82 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 BRD4 551/4885GAK 149/4885CCNT1 465/4885

“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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