SCHEMBL12284044

SCHEMBL12284044

CNC(=O)c1ccc2c(c1)nc(-c1c[nH]c(-c3ccc(Cl)cc3)n1)n2CCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.46
▸ PTGER4 P35408 7/20 0.45
▸ CTSD P07339 1/20 0.43
▸ GUSB P08236 1/20 0.43
▸ MAPK10 P53779 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ RPS6KA2 Q15349 1/20 0.39
▸ BCAT2 O15382 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ CHEK2 O96017 1/20 0.38

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
SCHEMBL12284142 0.92 RIPK2 (0.43) RIPK2PTGER4CTSDGUSBMAPK10
SCHEMBL2550796 0.86 RIPK2 (0.49) RIPK2PTGER4MAPK10NPC1RAB9A
SCHEMBL14576558 0.84 RIPK2 (0.60) RIPK2PTGER4CHEK2
SCHEMBL14576604 0.82 RIPK2 (0.52) RIPK2PTGER4MAPK10NPC1RAB9A
SCHEMBL14576706 0.82 RIPK2 (0.56) RIPK2PTGER4
SCHEMBL14576193 0.78 RIPK2 (0.52) RIPK2PTGER4KDM4EDRD2TBXA2R
SCHEMBL14576601 0.78 PTGER4 (0.53) RIPK2PTGER4KMT2A
SCHEMBL14576160 0.77 RIPK2 (0.59) RIPK2PTGER4KDM4EDRD2TBXA2R
SCHEMBL12284143 0.77 PTGER4 (0.48) RIPK2PTGER4MEN1KMT2AKDM4E
SCHEMBL14576632 0.77 RIPK2 (0.72) RIPK2PTGER4MEN1KMT2AHPGD

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 5 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
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 3190/4885CTSD 3877/4885

“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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