SCHEMBL2550796

SCHEMBL2550796

CCCn1c(-c2c[nH]c(-c3ccc(Cl)cc3)n2)nc2cc(C(=O)NC)ccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.49
▸ PTGER4 P35408 8/20 0.47
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ MAPK10 P53779 1/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PPARG P37231 1/20 0.40
▸ JAK2 O60674 2/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ TYK2 P29597 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ NR4A2 P43354 1/20 0.39

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
SCHEMBL14576558 0.91 RIPK2 (0.60) RIPK2PTGER4CHEK2
SCHEMBL14576604 0.91 RIPK2 (0.52) RIPK2PTGER4NPC1ALDH1A1RAB9A
SCHEMBL12284044 0.86 RIPK2 (0.46) RIPK2PTGER4NPC1RAB9ACHEK2
SCHEMBL14576193 0.84 RIPK2 (0.52) RIPK2PTGER4ALDH1A1CHEK2NR4A2
SCHEMBL12284142 0.84 RIPK2 (0.43) RIPK2PTGER4NPC1ALDH1A1RAB9A
SCHEMBL14576160 0.83 RIPK2 (0.59) RIPK2PTGER4
SCHEMBL12284143 0.83 PTGER4 (0.48) RIPK2PTGER4ALDH1A1BRD4MAPT
SCHEMBL14576632 0.82 RIPK2 (0.72) RIPK2PTGER4
SCHEMBL12284448 0.82 PTGER4 (0.56) RIPK2PTGER4ALDH1A1CHEK2MAPT
SCHEMBL12284274 0.82 RIPK2 (0.57) RIPK2PTGER4

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 6 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
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
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 RIPK2 255/4885PTGER4 3190/4885NPC1 3623/4885

“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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