SCHEMBL5163485

SCHEMBL5163485

Cc1cnc(NC(=O)Nc2cc3c(cc2OCCN(C)C)CCCC3)cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 12/20 0.51
▸ FECH P22830 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ FGFR4 P22455 2/20 0.40
▸ DDR2 Q16832 1/20 0.40
▸ ROCK2 O75116 3/20 0.39
▸ AURKA O14965 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CDC42BPA Q5VT25 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
SCHEMBL2034352 0.83 KDM4E (0.51) CHEK1FECHKCNH2AURKACHEK2
SCHEMBL5162739 0.82 CHEK1 (0.50) CHEK1FECHKCNH2FGFR4ROCK2
SCHEMBL5380675 0.81 CHEK1 (0.54) CHEK1AURKACHEK2MARK3PRKCD
SCHEMBL5165565 0.79 CHEK1 (0.47) CHEK1FECHKCNH2DDR2AURKA
SCHEMBL2035469 0.79 KDM4E (0.51) CHEK1FECHKCNH2AURKACHEK2
SCHEMBL4299163 0.77 CHEK1 (0.54) CHEK1AURKACHEK2MARK3PRKCD
SCHEMBL5163651 0.77 CHEK1 (0.47) CHEK1FECHKCNH2AURKACHEK2
SCHEMBL2031551 0.76 CHEK1 (0.48) CHEK1FECHKCNH2ROCK2NOTUM
SCHEMBL14517909 0.76 KMT2A (0.51) CHEK1NOTUM
SCHEMBL5163171 0.76 CHEK1 (0.44) CHEK1FECHKCNH2FGFR4

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 1/4885FECH 1861/4885KCNH2 3865/4885

“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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