SCHEMBL593902

SCHEMBL593902

OCCNCc1cnc(F)cc1I

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP28 Q96RU2 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PDCD1 Q15116 4/20 0.38
▸ CD274 Q9NZQ7 4/20 0.38
▸ USP25 Q9UHP3 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PNP P00491 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 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
SCHEMBL594696 0.84 MAOA (0.33) KMT2A
SCHEMBL594426 0.80 CA2 (0.34) —
SCHEMBL3635441 0.78 IDO1 (0.30) —
SCHEMBL393029 0.77 PDXK (0.33) KMT2AMEN1ALDH1A1LMNA
SCHEMBL30570456 0.76 SLC6A4 (0.38) PDCD1CD274ALDH1A1CYP2D6
SCHEMBL1338930 0.76 SLC6A4 (0.38) PDCD1CD274ALDH1A1CYP2D6
SCHEMBL594259 0.73 GAA (0.36) KMT2ASMN1; SMN2MEN1MAPK1ALDH1A1
SCHEMBL593789 0.72 SLC2A1 (0.34) ALDH1A1
SCHEMBL392361 0.71 — —
SCHEMBL594666 0.71 APP (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101568539-B Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer LILLY CO ELI 2012-04-25 — — CN disclosed
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 — — US disclosed
EP-2125794-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-10-20 — — EP disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 — — US disclosed
CN-101568539-A Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer LILLY CO ELI (US) 2009-10-28 — — CN 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-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP USP28 3755/4885KMT2A 1133/4885SMN1; SMN2 3333/4885

“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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