SCHEMBL304792

SCHEMBL304792

CC(C)(C)OC(=O)N1CCOC[C@@H]1COc1ccc(Cl)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX5AP P20292 3/20 0.39
▸ IL1B P01584 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ F9 P00740 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ F12 P00748 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ F7 P08709 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ RBP4 P02753 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL305629 0.85 KDM4E (0.46) ALDH1A1ALOX5APKDM4ERAB9ALMNA
SCHEMBL306340 0.80 ALDH1A1 (0.42) ALDH1A1ALOX5APRBP4LMNAMAPT
SCHEMBL25539639 0.78 MEN1 (0.41) ALOX5APIL1BP2RX7MEN1KMT2A
SCHEMBL304809 0.78 CHEK1 (0.49) RAB9AMEN1KMT2ANPC1
SCHEMBL30149908 0.78 IL1B (0.39) ALOX5APIL1BP2RX7SMN1; SMN2
SCHEMBL1700170 0.75 LMNA (0.45) ALDH1A1KDM4ERAB9ALMNAMAPT
SCHEMBL23902624 0.75 GPR119 (0.41) ALOX5APFEN1
SCHEMBL29418912 0.75 GPR119 (0.41) ALOX5APFEN1
SCHEMBL22597578 0.75 GPR119 (0.41) ALOX5APFEN1
SCHEMBL29529856 0.75 GPR119 (0.41) ALOX5APFEN1

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 3398/4885ALOX5AP 4332/4885IL1B 4782/4885

“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.

Send feedback