SCHEMBL14616806

SCHEMBL14616806

COCCn1c(-c2cnc(-c3ccc4scnc4c3)[nH]2)nc2c(N3CCOCC3)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.39
▸ BRD4 O60885 1/20 0.36
▸ CYP1A2 P05177 9/20 0.35
▸ ALDH1A1 P00352 7/20 0.35
▸ HSD17B10 Q99714 7/20 0.35
▸ CASP1 P29466 6/20 0.35
▸ CASP7 P55210 6/20 0.35
▸ USP2 O75604 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ DRD2 P14416 3/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 3/20 0.34
▸ CASR P41180 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ PTGER4 P35408 3/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL14616807 0.89 RIPK2 (0.40) RIPK2BRD4CYP1A2ALDH1A1HSD17B10
SCHEMBL2552283 0.87 BRD4 (0.36) BRD4CYP1A2ALDH1A1HSD17B10CASP1
SCHEMBL14616820 0.87 RIPK2 (0.39) RIPK2BRD4CYP1A2ALDH1A1HSD17B10
SCHEMBL14616790 0.84 RIPK2 (0.43) RIPK2ALDH1A1HSD17B10CASRPTGER4
SCHEMBL14616803 0.83 RIPK2 (0.43) RIPK2BRD4ALDH1A1HSD17B10CASR
SCHEMBL14616812 0.82 RIPK2 (0.41) RIPK2DRD2DRD3CASRPTGER4
SCHEMBL14616813 0.82 RIPK2 (0.41) RIPK2ALDH1A1DRD2DRD3TSHR
SCHEMBL14616801 0.82 RIPK2 (0.49) RIPK2BRD4ALDH1A1HSD17B10KMT2A
SCHEMBL14616811 0.81 TTK (0.38) RIPK2BRD4CNR1CNR2
SCHEMBL14616825 0.81 RIPK2 (0.40) RIPK2CYP1A2ALDH1A1HSD17B10CASP1

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 2 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 disclosed
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 — — US 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 RIPK2 255/4885BRD4 551/4885CYP1A2 2295/4885

“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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