SCHEMBL28741827

SCHEMBL28741827

CC(O)c1ccnc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.43
MAPK1 P28482 1/20 0.43
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
AAK1 Q2M2I8 10/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
TYK2 P29597 1/20 0.39
IGF1R P08069 1/20 0.39
PTGER1 P34995 1/20 0.39
RIOK2 Q9BVS4 1/20 0.38
TGFBR1 P36897 1/20 0.38
CYP17A1 P05093 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
SCHEMBL22945805 1.00 ATR (0.43) ATRMAPK1GSK3BDYRK1AAAK1
SCHEMBL29626780 1.00 ATR (0.43) ATRMAPK1GSK3BDYRK1AAAK1
SCHEMBL15070169 0.90 ATR (0.44) ATRMAPK1GSK3BDYRK1AAAK1
SCHEMBL2808080 0.90 ATR (0.44) ATRMAPK1GSK3BDYRK1AAAK1
SCHEMBL27962539 0.89 ATR (0.43) ATRMAPK1GSK3BDYRK1AAAK1
SCHEMBL27955914 0.88 ATR (0.42) ATRMAPK1GSK3BDYRK1AAAK1
SCHEMBL12695294 0.85 RAB9A (0.42) ATRMAPK1GSK3BDYRK1AAAK1
SCHEMBL12541193 0.85 AAK1 (0.41) ATRMAPK1GSK3BDYRK1AAAK1
SCHEMBL12596124 0.85 AAK1 (0.41) ATRMAPK1GSK3BDYRK1AAAK1
SCHEMBL29626636 0.84 AAK1 (0.41) ATRMAPK1GSK3BDYRK1AAAK1

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-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
US-20220387395-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. 2022-12-08 US disclosed
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. 2022-10-13 US disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 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 (2 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-20220387395-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION CBLB, CBL, CBLC ATR 712/4885MAPK1 2402/4885GSK3B 315/4885
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF CBLB, CBL, CBLC ATR 1042/4885MAPK1 2209/4885GSK3B 236/4885

“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.