SCHEMBL2555448

SCHEMBL2555448

COCCn1c(-c2c[nH]c(-c3ccc4nonc4c3)n2)nc2ccc(C)cc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTGER4 P35408 6/20 0.39
▸ BRD4 O60885 4/20 0.39
▸ CASR P41180 1/20 0.38
▸ PDE4B Q07343 1/20 0.34
▸ AAK1 Q2M2I8 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 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
SCHEMBL14575975 0.85 RIPK2 (0.43) KDM4EHSD17B10RECQLHPGDALDH1A1
SCHEMBL2554816 0.83 KDM4E (0.37) KDM4EHSD17B10RECQLHPGDALDH1A1
SCHEMBL12286455 0.83 CASR (0.39) KDM4EHSD17B10RECQLHPGDALDH1A1
SCHEMBL2547604 0.83 KDM4E (0.47) KDM4EHSD17B10RECQLHPGDALDH1A1
SCHEMBL12286266 0.82 PTGER4 (0.53) PTGER4
SCHEMBL2578096 0.81 PTGER4 (0.53) PTGER4
SCHEMBL14575950 0.77 RIPK2 (0.49) KDM4EHSD17B10RECQLHPGDALDH1A1
SCHEMBL14576869 0.76 KDM4E (0.49) KDM4EHSD17B10RECQLHPGDALDH1A1
SCHEMBL2552122 0.75 PTGER4 (0.37) KDM4EHSD17B10RECQLHPGDALDH1A1
SCHEMBL14576227 0.75 KDM4E (0.39) KDM4EHSD17B10RECQLHPGDALDH1A1

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 7 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
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 KDM4E 764/4885HSD17B10 3817/4885RECQL 1347/4885

“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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