SCHEMBL2550197

SCHEMBL2550197

COCCn1c(-c2c[nH]c(-c3ccc4scnc4c3)n2)nc2ccc(C(F)(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.36
▸ PTGER4 P35408 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32
▸ S1PR1 P21453 2/20 0.32

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
SCHEMBL2549694 0.93 CNR2 (0.42) CASRPTGER4KDM4ERECQLHSD17B10
SCHEMBL2552122 0.90 PTGER4 (0.37) CASRPTGER4KDM4ERECQLHSD17B10
SCHEMBL2554816 0.89 KDM4E (0.37) CASRPTGER4KDM4ERECQLHSD17B10
SCHEMBL2551655 0.87 RIPK2 (0.37) CASRPTGER4KDM4ERECQLHSD17B10
SCHEMBL2551037 0.87 PTGER4 (0.39) CASRPTGER4KDM4ERECQLHSD17B10
SCHEMBL2555588 0.86 HPGD (0.49) CASRPTGER4KDM4ERECQLHSD17B10
SCHEMBL14576227 0.86 KDM4E (0.39) CASRPTGER4KDM4ERECQLHSD17B10
SCHEMBL2551421 0.85 PTGER4 (0.44) CASRPTGER4KDM4ERECQLHSD17B10
SCHEMBL12284051 0.85 PTGER4 (0.41) CASRPTGER4KDM4ERECQLHSD17B10
SCHEMBL12283704 0.85 PTGER4 (0.49) PTGER4NPC1POLBALOX15MAPK1

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 CASR 2479/4885PTGER4 3190/4885KDM4E 764/4885

“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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