SCHEMBL2552283

SCHEMBL2552283

COCCn1c(-c2c[nH]c(-c3ccc4scnc4c3)n2)nc2c(N3CCOCC3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.36
▸ DRD2 P14416 3/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SYK P43405 2/20 0.35
▸ PFKFB3 Q16875 1/20 0.35
▸ CASR P41180 1/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ CYP1A2 P05177 6/20 0.34
▸ CASP1 P29466 6/20 0.34
▸ CASP7 P55210 6/20 0.34
▸ HSD17B10 Q99714 6/20 0.34
▸ USP2 O75604 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL2548897 0.89 CCNT1 (0.37) BRD4SYKCCNT1CDK9ALDH1A1
SCHEMBL2551978 0.87 BRD4 (0.36) BRD4SYKPFKFB3CCNT1CDK9
SCHEMBL14616806 0.87 RIPK2 (0.39) BRD4DRD2DRD3CASRPTGER4
SCHEMBL2550186 0.86 CASR (0.39) CASRPTGER4ALDH1A1HSD17B10
SCHEMBL2553442 0.84 CASR (0.38) PFKFB3CASRPTGER4ALDH1A1HSD17B10
SCHEMBL2551159 0.83 CASR (0.37) CASRPTGER4ALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL14575891 0.83 CCNT1 (0.37) BRD4PTGER4CCNT1CDK9ALDH1A1
SCHEMBL2552056 0.82 RPS6KA5 (0.35) DRD2DRD3PFKFB3CASRALDH1A1
SCHEMBL2554752 0.82 MAP3K11 (0.34) DRD2DRD3CASRCCNT1CDK9
SCHEMBL2555588 0.82 HPGD (0.49) BRD4CASRPTGER4ALDH1A1CASP7

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 551/4885DRD2 3938/4885DRD3 3597/4885

“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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