SCHEMBL18792950

SCHEMBL18792950

CC(=O)Nc1cnc2[nH]c(=O)n([C@H]3CC[C@@H](C(C)C)CC3)c(=O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 1/20 0.36
▸ ERCC1 P07992 2/20 0.36
▸ FEN1 P39748 2/20 0.36
▸ ERCC4 Q92889 2/20 0.36
▸ DNASE1 P24855 1/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ PRKDC P78527 2/20 0.35
▸ MTOR P42345 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ OPRM1 P35372 3/20 0.35
▸ OPRD1 P41143 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ EEF2K O00418 1/20 0.33
▸ BUB1 O43683 1/20 0.33

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
SCHEMBL17347876 1.00 CALCRL (0.36) CALCRLERCC1FEN1ERCC4DNASE1
SCHEMBL18763278 1.00 CALCRL (0.36) CALCRLERCC1FEN1ERCC4DNASE1
SCHEMBL18792951 1.00 CALCRL (0.36) CALCRLERCC1FEN1ERCC4DNASE1
SCHEMBL18763311 0.86 OPRM1 (0.37) ERCC1FEN1ERCC4DNASE1PIK3CA
SCHEMBL18792947 0.86 OPRM1 (0.37) ERCC1FEN1ERCC4DNASE1PIK3CA
SCHEMBL18763312 0.86 OPRM1 (0.37) ERCC1FEN1ERCC4DNASE1PIK3CA
SCHEMBL18792924 0.86 OPRM1 (0.37) ERCC1FEN1ERCC4DNASE1PIK3CA
SCHEMBL17347952 0.85 ERCC1 (0.36) ERCC1FEN1ERCC4DNASE1PIK3CA
SCHEMBL17347877 0.85 ERCC1 (0.36) ERCC1FEN1ERCC4DNASE1PIK3CA
SCHEMBL18792922 0.85 ERCC1 (0.36) ERCC1FEN1ERCC4DNASE1PIK3CA

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-20170114029-A1 TREATMENT OF CHAGAS DISEASE SYNGENE INTERNATIONAL LIMITED (IN) 2017-04-27 — — 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-20170114029-A1 TREATMENT OF CHAGAS DISEASE CXCR4, CBR1, CHRM1 CALCRL 1244/4885ERCC1 2255/4885FEN1 4772/4885

“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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