SCHEMBL5164420

SCHEMBL5164420

C#Cc1ccc(OCC2CCCN(C)C2)c(NC(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 14/20 0.44
▸ RPS6KA3 P51812 3/20 0.42
▸ FLT4 P35916 2/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ SRPK1 Q96SB4 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ FER P16591 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ STK3 Q13188 1/20 0.42
▸ BRSK1 Q8TDC3 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ SGK2 Q9HBY8 1/20 0.42
▸ MAP4K5 Q9Y4K4 1/20 0.42

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
SCHEMBL5162849 0.89 CHEK1 (0.42) CHEK1RPS6KA3FLT4FLT3SRPK1
SCHEMBL12643242 0.89 KDM4E (0.47) CHEK1RPS6KA3FLT4FLT3SRPK1
SCHEMBL2037624 0.89 KDM4E (0.47) CHEK1RPS6KA3FLT4FLT3SRPK1
SCHEMBL13677587 0.89 KDM4E (0.47) CHEK1RPS6KA3FLT4FLT3SRPK1
SCHEMBL2031893 0.87 CHEK1 (0.49) CHEK1HRH3FECHKCNH2CDK5
SCHEMBL5164315 0.85 IDH2 (0.46) CHEK1HRH3FECHKCNH2
SCHEMBL27644594 0.85 CHEK1 (0.44) CHEK1RPS6KA3FLT4FLT3SRPK1
SCHEMBL2036333 0.83 KDM4E (0.51) CHEK1RPS6KA3FLT4FLT3SRPK1
SCHEMBL5163171 0.82 CHEK1 (0.44) CHEK1RPS6KA3FLT4FLT3SRPK1
SCHEMBL2037001 0.82 CHEK1 (0.54) CHEK1FECHKCNH2

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
CN-101006075-A Bisarylurea derivatives useful for inhibiting CHK1 ICOS CORP (US) 2007-07-25 — — CN claimed
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
CN-101006075-A Bisarylurea derivatives useful for inhibiting CHK1 ICOS CORP (US) 2007-07-25 — — CN disclosed
EP-1765808-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-03-28 — — EP disclosed
WO-2006012308-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-02 — — 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 1/4885RPS6KA3 1084/4885FLT4 2930/4885

“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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