SCHEMBL13997115

SCHEMBL13997115

Cc1ccc(OCC2CCCNC2)c(NC(=O)Nc2cnc(C(F)(F)F)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 7/20 0.48
▸ HCRTR1 O43613 5/20 0.46
▸ FECH P22830 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ IDH2 P48735 1/20 0.42
▸ SCN9A Q15858 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
Hydrochloric Acid SCHEMBL5059305 0.99 CHEK1 (0.47) CHEK1HCRTR1FECHKCNH2KDM4E
SCHEMBL13997114 0.91 IDH2 (0.47) CHEK1FECHKCNH2IDH2SCN9A
Hydrochloric Acid SCHEMBL5063346 0.90 IDH2 (0.47) CHEK1FECHKCNH2IDH2SCN9A
SCHEMBL2033685 0.90 CHEK1 (0.53) CHEK1FECHKCNH2KDM4ESCN9A
SCHEMBL16416700 0.86 CHEK1 (0.49) CHEK1FECHKCNH2KDM4ESCN9A
SCHEMBL5163078 0.86 CHEK1 (0.49) CHEK1FECHKCNH2IDH2SCN9A
SCHEMBL5163065 0.86 CHEK1 (0.49) CHEK1FECHKCNH2IDH2SCN9A
SCHEMBL5163178 0.86 CHEK1 (0.49) CHEK1FECHKCNH2IDH2SCN9A
SCHEMBL5063309 0.85 HCRTR1 (0.48) CHEK1HCRTR1KDM4EIDH2
SCHEMBL5063318 0.84 HCRTR1 (0.45) CHEK1HCRTR1FECHKCNH2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318974-A1 Compounds Useful for Inhibiting Chk1 ICOS CORPORATION (US) 2008-12-25 — — US disclosed
US-20080318974-A1 Compounds Useful for Inhibiting Chk1 ICOS CORPORATION (US) 2008-12-25 — — US disclosed
US-20070185013-A1 Use of chk1 inhibitors to control cell proliferation ICOS CORPORATION (US) 2007-08-09 — — US 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 (2 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 1/4885HCRTR1 3905/4885FECH 1861/4885
US-20080318974-A1 Compounds Useful for Inhibiting Chk1 CHEK1, PCNA, CHEK2 CHEK1 1/4885HCRTR1 4805/4885FECH 2044/4885

“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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