SCHEMBL29957527

SCHEMBL29957527

CC(C)(C)OC(=O)Nc1ccncc1C=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.47
NAMPT P43490 2/20 0.45
RAB9A P51151 1/20 0.44
ATR Q13535 1/20 0.41
BRS3 P32247 1/20 0.39
METAP1 P53582 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL1197794 1.00 CYP17A1 (0.47) CYP17A1NAMPTRAB9AATRBRS3
SCHEMBL29957148 0.89 CYP17A1 (0.47) CYP17A1NAMPTRAB9AATRBRS3
SCHEMBL1020140 0.89 CYP17A1 (0.47) CYP17A1NAMPTRAB9AATRBRS3
SCHEMBL14291605 0.85 NAMPT (0.43) CYP17A1NAMPTRAB9AATRBRS3
SCHEMBL3543797 0.84 NAMPT (0.42) CYP17A1NAMPTRAB9AATRBRS3
SCHEMBL3543792 0.84 NAMPT (0.42) CYP17A1NAMPTRAB9AATRBRS3
SCHEMBL18522430 0.83 NAMPT (0.50) CYP17A1NAMPTRAB9AATRBRS3
SCHEMBL4066041 0.83 CCNC (0.44) CYP17A1NAMPTRAB9AATRBRS3
SCHEMBL30895932 0.82 LATS1 (0.51) CYP17A1NAMPTRAB9AIDO1
SCHEMBL27380781 0.82 LATS1 (0.51) CYP17A1NAMPTRAB9AIDO1

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-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 US disclosed
EP-4362978-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-05-08 EP disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN CYP17A1 560/4885NAMPT 3311/4885RAB9A 1790/4885

“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.