SCHEMBL5064822

SCHEMBL5064822

CC(C)(C)OC(=O)N1CCCC(COc2ccc(C(F)(F)F)cc2NC(=O)Nc2cnc(C(F)(F)F)cn2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.48
▸ IDH2 P48735 4/20 0.43
▸ ALOX5AP P20292 2/20 0.41
▸ FEN1 P39748 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CHEK2 O96017 1/20 0.39
▸ LOXL2 Q9Y4K0 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GLS O94925 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ PROKR1 Q8TCW9 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
SCHEMBL5165886 0.93 SCN9A (0.46) SCN9AIDH2ALOX5APFEN1TSHR
SCHEMBL5178711 0.93 SCN9A (0.46) SCN9AIDH2ALOX5APFEN1TSHR
SCHEMBL5165878 0.93 SCN9A (0.46) SCN9AIDH2ALOX5APFEN1TSHR
SCHEMBL5066850 0.93 SCN9A (0.48) SCN9AIDH2ALOX5APFEN1CHEK2
SCHEMBL13397358 0.84 SCN9A (0.47) SCN9AALOX5APFEN1CHEK2GLS
SCHEMBL2031191 0.84 SCN9A (0.47) SCN9AALOX5APFEN1CHEK2GLS
SCHEMBL5164315 0.81 IDH2 (0.46) IDH2TSHRCYP2C9CHEK1
SCHEMBL5063309 0.80 HCRTR1 (0.48) IDH2CHEK1
SCHEMBL13997114 0.80 IDH2 (0.47) SCN9AIDH2TSHRCHEK1
Hydrochloric Acid SCHEMBL5063346 0.79 IDH2 (0.47) SCN9AIDH2TSHRCHEK1

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 1 patent. 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

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-20080318974-A1 Compounds Useful for Inhibiting Chk1 CHEK1, PCNA, CHEK2 SCN9A 4533/4885IDH2 742/4885ALOX5AP 4143/4885

“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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