SCHEMBL5165565

SCHEMBL5165565

C#Cc1ccc(OCCN(C)C)c(NC(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 16/20 0.47
▸ CHEK2 O96017 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ MARK3 P27448 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ AKT1 P31749 1/20 0.40
▸ FECH P22830 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.39
▸ DDR2 Q16832 1/20 0.38

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
SCHEMBL5163651 0.88 CHEK1 (0.47) CHEK1CHEK2AURKAMARK3PRKCD
SCHEMBL2034352 0.87 KDM4E (0.51) CHEK1CHEK2AURKAMARK3PRKCD
SCHEMBL5380675 0.85 CHEK1 (0.54) CHEK1CHEK2AURKAMARK3PRKCD
SCHEMBL2035469 0.83 KDM4E (0.51) CHEK1CHEK2AURKAMARK3PRKCD
SCHEMBL4299163 0.81 CHEK1 (0.54) CHEK1CHEK2AURKAMARK3PRKCD
SCHEMBL5163913 0.79 CHEK1 (0.51) CHEK1CHEK2AKT1
SCHEMBL5163485 0.79 CHEK1 (0.51) CHEK1CHEK2AURKAMARK3PRKCD
SCHEMBL14517909 0.78 KMT2A (0.51) CHEK1HRH3
SCHEMBL5162739 0.78 CHEK1 (0.50) CHEK1CHEK2AURKAMARK3PRKCD
SCHEMBL5164420 0.77 CHEK1 (0.44) CHEK1FECHKCNH2HRH3

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
EP-1765808-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-03-28 — — EP claimed
WO-2006012308-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-02 — — WO claimed
US-20070185013-A1 Use of chk1 inhibitors to control cell proliferation ICOS CORPORATION (US) 2007-08-09 — — US disclosed
EP-1765808-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-03-28 — — EP disclosed
EP-1667684-A1 USE OF CHK1 INHIBITORS TO CONTROL CELL PROLIFERATION ICOS Corporation (US) 2006-06-14 — — EP disclosed
WO-2006012308-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-02 — — WO disclosed
WO-2005027907-A1 USE OF CHK1 INHIBITORS TO CONTROL CELL PROLIFERATION ICOS CORPORATION (US) 2005-03-31 — — 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-20070185013-A1 Use of chk1 inhibitors to control cell proliferation CHEK1, CHEK2, CDC25C CHEK1 1/4885CHEK2 2/4885AURKA 82/4885

“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