SCHEMBL304725

SCHEMBL304725

CC(C)(C)OC(=O)N1CCCO[C@H](COc2ccc(Cl)cc2[N+](=O)[O-])C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.51
▸ DRD4 P21917 10/20 0.49
▸ EPHA2 P29317 4/20 0.47
▸ ERBB2 P04626 1/20 0.44
▸ EPHB4 P54760 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NR1D1 P20393 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ RBP4 P02753 1/20 0.39

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
SCHEMBL304726 1.00 KDM4E (0.51) KDM4EDRD4EPHA2ERBB2EPHB4
SCHEMBL1700868 0.82 EPHA2 (0.47) DRD4EPHA2ERBB2EPHB4ALDH1A1
SCHEMBL29262728 0.82 EPHA2 (0.47) DRD4EPHA2ERBB2EPHB4ALDH1A1
SCHEMBL305630 0.81 KDM4E (0.49) KDM4EDRD4NPC1ALDH1A1RAB9A
SCHEMBL4301620 0.80 EPHA2 (0.54) DRD4EPHA2ERBB2EPHB4DRD2
SCHEMBL4301622 0.80 EPHA2 (0.54) DRD4EPHA2ERBB2EPHB4DRD2
SCHEMBL305629 0.77 KDM4E (0.46) KDM4ENPC1ALDH1A1RAB9AKMT2A
SCHEMBL19423770 0.75 KDM4E (0.55) KDM4ENPC1ALDH1A1RAB9AKMT2A
SCHEMBL19172469 0.74 EPHA2 (0.44) EPHA2ERBB2EPHB4NPC1ALDH1A1
SCHEMBL2795186 0.74 EPHA2 (0.51) DRD4EPHA2ERBB2EPHB4NPC1

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-8093244-B2 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS CORPORATION (US) 2012-01-10 — — US disclosed
EP-2330105-A1 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS Corporation (US) 2011-06-08 — — EP disclosed
EP-1869020-B1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORP (US) 2010-12-01 — — EP disclosed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 — — 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-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PCNA KDM4E 2751/4885DRD4 4361/4885EPHA2 4060/4885

“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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