SCHEMBL305106

SCHEMBL305106

CC(C)(C)OC(=O)N1CCCCOC1COc1ccc(Br)cc1N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 3/20 0.38
▸ USP30 Q70CQ3 2/20 0.37
▸ EPHA2 P29317 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ AAK1 Q2M2I8 4/20 0.35
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KLK7 P49862 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ OPRK1 P41145 1/20 0.33
▸ RECQL P46063 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
SCHEMBL306340 0.89 ALDH1A1 (0.42) UCHL1USP30EPHA2KMT2AALDH1A1
SCHEMBL305630 0.76 KDM4E (0.49) USP30KMT2AALDH1A1HPGDNPSR1
SCHEMBL12801074 0.75 USP30 (0.44) USP30EPHA2AAK1FPR3FPR2
SCHEMBL17928406 0.72 SMN1; SMN2 (0.39) UCHL1KMT2AALDH1A1MEN1RECQL
SCHEMBL17928405 0.72 SMN1; SMN2 (0.39) UCHL1KMT2AALDH1A1MEN1RECQL
SCHEMBL29295628 0.72 KLK7 (0.49) UCHL1KMT2AKLK7MEN1
SCHEMBL29002701 0.71 ALOX5AP (0.45) USP30KMT2AAAK1FPR3FPR2
SCHEMBL5154892 0.70 ALOX5AP (0.47) USP30AAK1FPR3FPR2
SCHEMBL15300843 0.70 FPR3 (0.47) EPHA2FPR3FPR2ALDH1A1
SCHEMBL15300841 0.70 FPR3 (0.47) EPHA2FPR3FPR2ALDH1A1

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 5 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
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 — — US disclosed
EP-1869020-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS Corporation (US) 2007-12-26 — — EP disclosed
WO-2006105262-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS CORPORATION (US) 2006-10-05 — — 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-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PCNA UCHL1 439/4885USP30 341/4885EPHA2 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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