SCHEMBL2549694

SCHEMBL2549694

COCCn1c(-c2c[nH]c(-c3ccc4scnc4c3)n2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.42
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ CASR P41180 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PTGER4 P35408 6/20 0.37
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RIPK2 O43353 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 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
SCHEMBL2550197 0.93 CASR (0.36) CNR2CASRKDM4EPTGER4RECQL
SCHEMBL2551421 0.92 PTGER4 (0.44) CASRKDM4EPTGER4RECQLHSD17B10
SCHEMBL2552155 0.87 PTGER4 (0.47) CASRKDM4EPTGER4RECQLHSD17B10
SCHEMBL2555588 0.86 HPGD (0.49) KMT2ACASRKDM4EPTGER4RECQL
SCHEMBL14576508 0.86 PTGER4 (0.37) CASRKDM4EPTGER4RECQLHSD17B10
SCHEMBL14576317 0.85 PTGER4 (0.49) CASRKDM4EPTGER4RECQLHSD17B10
SCHEMBL2552122 0.85 PTGER4 (0.37) CASRKDM4EPTGER4RECQLHSD17B10
SCHEMBL2551033 0.85 PTGER4 (0.41) CNR2KDM4EPTGER4RECQLHSD17B10
SCHEMBL2550896 0.85 PTGER4 (0.51) PTGER4RIPK2
SCHEMBL14576006 0.84 PTGER4 (0.50) MEN1KMT2AKDM4EPTGER4RECQL

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 CNR2 3284/4885MEN1 1013/4885KMT2A 536/4885

“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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