SCHEMBL2548897

SCHEMBL2548897

COCCn1c(-c2c[nH]c(-c3ccc4scnc4c3)n2)nc2c(N3CCOCC3)nccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ GAK O14976 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TTK P33981 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ CYP1A2 P05177 4/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ USP2 O75604 3/20 0.33
▸ CASP1 P29466 3/20 0.33
▸ CASP7 P55210 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ SYK P43405 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL14575891 0.93 CCNT1 (0.37) CCNT1CDK9BRD4JAK2ALDH1A1
SCHEMBL2554752 0.93 MAP3K11 (0.34) CCNT1CDK9
SCHEMBL2552056 0.93 RPS6KA5 (0.35) TTKALDH1A1TSHR
SCHEMBL2549697 0.92 MAP3K11 (0.38) TTKALDH1A1CYP1A2HSD17B10USP2
SCHEMBL2546139 0.92 RPS6KA5 (0.34) TTKALDH1A1TSHR
SCHEMBL2551978 0.92 BRD4 (0.36) CCNT1CDK9BRD4GAKJAK2
SCHEMBL2551140 0.91 TTK (0.38) CCNT1CDK9BRD4GAKTTK
SCHEMBL2553463 0.90 MTOR (0.35) —
SCHEMBL2551527 0.90 MTOR (0.35) —
SCHEMBL2552283 0.89 BRD4 (0.36) CCNT1CDK9BRD4JAK2ALDH1A1

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 CCNT1 465/4885CDK9 113/4885BRD4 551/4885

“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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