SCHEMBL10076337

SCHEMBL10076337

Cc1ccc(OC[C@H]2CNCCO2)c(NC(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.76
FECH P22830 1/20 0.76
KCNH2 Q12809 1/20 0.76
KDM4E B2RXH2 1/20 0.44
HTR2A P28223 3/20 0.43
SLC6A4 P31645 3/20 0.43
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ADRA2C P18825 1/20 0.43
CHEK2 O96017 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL305117 1.00 CHEK1 (0.76) CHEK1FECHKCNH2KDM4EHTR2A
SCHEMBL305118 1.00 CHEK1 (0.76) CHEK1FECHKCNH2KDM4EHTR2A
SCHEMBL12534406 0.93 CHEK1 (0.76) CHEK1FECHKCNH2HTR2ASLC6A4
SCHEMBL12534412 0.92 CHEK1 (0.65) CHEK1FECHKCNH2KDM4EHTR2A
SCHEMBL304760 0.91 CHEK1 (0.74) CHEK1FECHKCNH2CHEK2
SCHEMBL305395 0.91 CHEK1 (0.79) CHEK1FECHKCNH2HTR2ASLC6A4
SCHEMBL14189550 0.91 CHEK1 (0.74) CHEK1FECHKCNH2HTR2ASLC6A4
SCHEMBL305112 0.91 CHEK1 (0.79) CHEK1FECHKCNH2HTR2ASLC6A4
SCHEMBL305113 0.91 CHEK1 (0.79) CHEK1FECHKCNH2HTR2ASLC6A4
SCHEMBL12534312 0.91 CHEK1 (0.74) CHEK1FECHKCNH2HTR2ASLC6A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455471-B2 Compositions of CHK1 inhibitors and cyclodextrin ICOS CORPORATION (US) 2013-06-04 US disclosed
US-8093244-B2 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS CORPORATION (US) 2012-01-10 US disclosed
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
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 US disclosed
WO-2008067027-A2 COMPOSITIONS OF CHKL INHIBITORS AND CYCLODEXTRIN ICOS CORPORATION (US) 2008-06-05 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 CHEK1 1/4885FECH 2006/4885KCNH2 3943/4885

“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.