SCHEMBL306340

SCHEMBL306340

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ OPRK1 P41145 1/20 0.39
▸ DRD4 P21917 3/20 0.38
▸ ALOX5AP P20292 2/20 0.37
▸ UCHL1 P09936 1/20 0.37
▸ RBP4 P02753 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ AHCY P23526 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ EPHA2 P29317 1/20 0.35
▸ GRM5 P41594 1/20 0.35

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
SCHEMBL305106 0.89 UCHL1 (0.38) ALDH1A1MEN1KMT2ANPSR1OPRK1
SCHEMBL305630 0.85 KDM4E (0.49) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL304792 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL17928406 0.72 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL17928405 0.72 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL29295628 0.72 KLK7 (0.49) MEN1KMT2AUCHL1
SCHEMBL14431420 0.69 ALOX5AP (0.48) LMNAMAPTALOX5AP
SCHEMBL22396983 0.68 CYP1A2 (0.46) ALDH1A1LMNAMAPTTSHRPOLB
SCHEMBL31615928 0.68 NPC1 (0.47) ALDH1A1MAPTNPSR1ALOX5APUCHL1
SCHEMBL358194 0.68 PDE4B (0.53) MEN1KMT2A

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 ALDH1A1 3398/4885MEN1 2085/4885KMT2A 1835/4885

“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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