SCHEMBL5163078

SCHEMBL5163078

Cc1cnc(NC(=O)Nc2cc(C(F)(F)F)ccc2OCC2CCCNC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 8/20 0.49
▸ FECH P22830 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ IDH2 P48735 4/20 0.46
▸ TSHR P16473 1/20 0.45
▸ RAF1 P04049 1/20 0.43
▸ SCN8A Q9UQD0 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SCN9A Q15858 1/20 0.40

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
SCHEMBL5163065 1.00 CHEK1 (0.49) CHEK1FECHKCNH2IDH2TSHR
SCHEMBL5163178 1.00 CHEK1 (0.49) CHEK1FECHKCNH2IDH2TSHR
SCHEMBL13997114 0.92 IDH2 (0.47) CHEK1FECHKCNH2IDH2TSHR
Hydrochloric Acid SCHEMBL5063346 0.91 IDH2 (0.47) CHEK1FECHKCNH2IDH2TSHR
SCHEMBL2033685 0.89 CHEK1 (0.53) CHEK1FECHKCNH2SCN9A
SCHEMBL13997115 0.86 CHEK1 (0.48) CHEK1FECHKCNH2IDH2SCN9A
Hydrochloric Acid SCHEMBL5059305 0.85 CHEK1 (0.47) CHEK1FECHKCNH2IDH2SCN9A
SCHEMBL5164315 0.85 IDH2 (0.46) CHEK1FECHKCNH2IDH2TSHR
Hydrochloric Acid SCHEMBL5167078 0.84 TSHR (0.43) CHEK1KCNH2IDH2TSHRRAF1
SCHEMBL5164330 0.83 CHEK1 (0.43) 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 10 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
CN-1882342-A Use of CHK1 inhibitors to control cell proliferation ICOS CORP (US) 2006-12-20 — — CN 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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