SCHEMBL5162326

SCHEMBL5162326

Cc1cnc(NC(=O)Nc2cc3c(cc2OC(C)C2CCCCN2)CCCC3)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 9/20 0.40
▸ FECH P22830 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ RPS6KA3 P51812 2/20 0.38
▸ SRPK1 Q96SB4 2/20 0.38
▸ CDK5 Q00535 2/20 0.37
▸ CDK5R1 Q15078 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ DCLK1 O15075 1/20 0.34
▸ RPS6KA5 O75582 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ RET P07949 1/20 0.34
▸ PHKG2 P15735 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ FLT4 P35916 1/20 0.34

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
SCHEMBL2030233 0.86 KDM4E (0.44) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL2035842 0.84 KDM4E (0.45) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL5163184 0.83 CHEK1 (0.45) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL305454 0.74 CHEK1 (0.46) CHEK1FECHKCNH2HTTNPSR1
SCHEMBL306549 0.73 CHEK1 (0.51) CHEK1FECHKCNH2AURKA
SCHEMBL5190190 0.73 CHEK1 (0.51) CHEK1FECHKCNH2AURKA
SCHEMBL5163145 0.72 CHEK1 (0.44) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL305538 0.72 KDM4E (0.42) CHEK1FECHKCNH2CDK5CDK5R1
SCHEMBL5163485 0.71 CHEK1 (0.51) CHEK1FECHKCNH2AURKA
SCHEMBL2034857 0.71 KDM4E (0.47) CHEK1FECHKCNH2CDK5CDK5R1

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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