SCHEMBL29619168

SCHEMBL29619168

CC(C)(C)OC(=O)Nc1cccnc1CO

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.53
ATR Q13535 1/20 0.44
NAMPT P43490 2/20 0.42
CYP17A1 P05093 2/20 0.41
TDP2 O95551 1/20 0.41
BRD9 Q9H8M2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
BRD4 O60885 2/20 0.39
RAB9A P51151 1/20 0.39
IDO1 P14902 1/20 0.38
MAPKAPK2 P49137 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
SCHEMBL2082187 1.00 METAP1 (0.53) METAP1ATRNAMPTCYP17A1TDP2
SCHEMBL24589410 0.89 METAP1 (0.51) METAP1ATRNAMPTCYP17A1TDP2
SCHEMBL23482029 0.89 METAP1 (0.53) METAP1ATRNAMPTCYP17A1TDP2
SCHEMBL22075675 0.87 METAP1 (0.52) METAP1ATRNAMPTCYP17A1TDP2
SCHEMBL29919353 0.87 METAP1 (0.52) METAP1ATRNAMPTCYP17A1TDP2
SCHEMBL28191187 0.87 METAP1 (0.52) METAP1ATRNAMPTCYP17A1TDP2
SCHEMBL31561715 0.87 METAP1 (0.49) METAP1ATRNAMPTCYP17A1TDP2
SCHEMBL31561700 0.86 METAP1 (0.51) METAP1ATRNAMPTCYP17A1TDP2
SCHEMBL29619166 0.85 METAP1 (0.50) METAP1ATRNAMPTCYP17A1TDP2
SCHEMBL20284937 0.85 METAP1 (0.50) METAP1ATRNAMPTCYP17A1TDP2

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-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 METAP1 1236/4885ATR 3082/4885NAMPT 719/4885
US-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 METAP1 188/4885ATR 2569/4885NAMPT 555/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 METAP1 188/4885ATR 2569/4885NAMPT 555/4885

“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.