SCHEMBL2554431

SCHEMBL2554431

COCCn1c(-c2c[nH]c(-c3ccc(Cl)cc3)n2)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.57
▸ CASR P41180 1/20 0.56
▸ KDM4E B2RXH2 7/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.53
▸ RECQL P46063 1/20 0.53
▸ TP53 P04637 3/20 0.47
▸ BRD4 O60885 1/20 0.45
▸ RIPK2 O43353 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43

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
SCHEMBL14616759 0.91 HPGD (0.69) HPGDCASRKDM4EALDH1A1SMN1; SMN2
SCHEMBL14575975 0.88 RIPK2 (0.43) HPGDCASRKDM4EALDH1A1SMN1; SMN2
SCHEMBL14575950 0.88 RIPK2 (0.49) HPGDCASRKDM4EALDH1A1SMN1; SMN2
SCHEMBL2554274 0.87 RIPK2 (0.45) HPGDCASRKDM4EALDH1A1SMN1; SMN2
SCHEMBL14576869 0.86 KDM4E (0.49) HPGDCASRKDM4EALDH1A1SMN1; SMN2
SCHEMBL14576575 0.85 CASR (0.58) HPGDCASRKDM4EALDH1A1SMN1; SMN2
SCHEMBL14576556 0.83 CNR2 (0.50) HPGDCASRKDM4EALDH1A1SMN1; SMN2
SCHEMBL12284274 0.83 RIPK2 (0.57) RIPK2
SCHEMBL2551496 0.83 PTGER4 (0.54) RIPK2
SCHEMBL14576160 0.82 RIPK2 (0.59) KDM4ERIPK2DRD2TBXA2R

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 HPGD 3449/4885CASR 2479/4885KDM4E 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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