SCHEMBL18961358

SCHEMBL18961358

C=Cc1ncc(C(C)=O)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 3/20 0.37
▸ NAMPT P43490 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ BCL2 P10415 1/20 0.31
▸ BECN1 Q14457 1/20 0.31

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
SCHEMBL18940410 0.89 ATR (0.40) CYP17A1NAMPTMETAP1BRD9ATR
SCHEMBL18961363 0.88 CYP17A1 (0.38) CYP17A1NAMPTMETAP1BRD9ATR
SCHEMBL18961320 0.80 ATR (0.43) CYP17A1NAMPTMETAP1BRD9ATR
SCHEMBL18961365 0.78 CYP17A1 (0.38) CYP17A1NAMPTMETAP1BRD9ATR
SCHEMBL18940479 0.77 ATR (0.43) CYP17A1NAMPTMETAP1BRD9ATR
SCHEMBL29170391 0.76 TSHR (0.42) CYP17A1NAMPTMETAP1ATRSYK
SCHEMBL31221957 0.73 MAPKAPK2 (0.40) CYP17A1NAMPTATRSYKMAP4K4
SCHEMBL31221963 0.73 SYK (0.44) CYP17A1NAMPTSYKMAP4K4
SCHEMBL20169942 0.72 CYP17A1 (0.38) CYP17A1NAMPTMETAP1BRD9ATR
SCHEMBL30756440 0.72 L3MBTL1 (0.40) CYP17A1METAP1BRD9ATRSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661397-B2 1,4-disubstituted imidazole derivative Sumitomo Pharma Co., Ltd. (JP) 2023-05-30 — — US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 — — US disclosed
US-9828362-B2 1,4-disubstituted imidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-11-28 — — US disclosed
US-20170166552-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2017-06-15 — — 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 (3 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-20170166552-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE NR4A3, NR0B1, NR2C2 CYP17A1 243/4885NAMPT 1818/4885METAP1 4486/4885
US-11661397-B2 1,4-disubstituted imidazole derivative NR4A3, NR0B1, NR2C2 CYP17A1 243/4885NAMPT 1818/4885METAP1 4486/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 CYP17A1 693/4885NAMPT 722/4885METAP1 4335/4885

“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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