SCHEMBL14616829

SCHEMBL14616829

COCCn1c(-c2cnc(-c3ccc4scnc4c3)[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)c(C)cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 10/20 0.45
▸ CNR2 P34972 10/20 0.45
▸ RIPK2 O43353 1/20 0.42
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PTGER4 P35408 2/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ HK1 P19367 1/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL14616830 0.93 RIPK2 (0.43) CNR1CNR2RIPK2PTGER4
SCHEMBL14616821 0.90 RIPK2 (0.46) CNR1CNR2RIPK2MAPTLMNA
SCHEMBL14575880 0.87 KDM4E (0.39) CNR1CNR2MAPTKDM4ELMNA
SCHEMBL14616828 0.84 RIPK2 (0.49) RIPK2MAPTLMNAPTGER4BRD4
SCHEMBL14616823 0.83 RIPK2 (0.47) RIPK2KDM4ELMNAPTGER4HTT
SCHEMBL14616822 0.82 RIPK2 (0.46) RIPK2LMNAPTGER4HTTIKBKB
SCHEMBL14576316 0.80 MAP3K11 (0.36) CNR1CNR2LMNAPTGER4BRD4
SCHEMBL14642705 0.80 RIPK2 (0.51) RIPK2KDM4EPTGER4ALDH1A1HPGD
SCHEMBL14616807 0.80 RIPK2 (0.40) RIPK2BRD4MEN1KMT2AALDH1A1
SCHEMBL14616831 0.79 RIPK2 (0.47) RIPK2KDM4EPTGER4BRD4KMT2A

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 CNR1 2949/4885CNR2 3284/4885RIPK2 255/4885

“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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