SCHEMBL21999271

SCHEMBL21999271

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(O)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
SSTR4 P31391 1/20 0.36
ATR Q13535 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDPK1 O15530 1/20 0.34
USP30 Q70CQ3 2/20 0.33
ESR2 Q92731 1/20 0.33
NQO2 P16083 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR6 P50406 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 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
SCHEMBL31754779 1.00 SYK (0.41) SYKSSTR4ATRAAK1NPC1
SCHEMBL26986587 0.93 SYK (0.38) SYKSSTR4ATRAAK1NPC1
SCHEMBL3335527 0.84 NPC1 (0.49) SYKSSTR4AAK1NPC1RAB9A
SCHEMBL24035707 0.83 SYK (0.41) SYKSSTR4ATRAAK1NPC1
SCHEMBL1353862 0.83 SYK (0.41) SYKSSTR4ATRAAK1NPC1
SCHEMBL30161746 0.83 SYK (0.41) SYKSSTR4ATRAAK1NPC1
SCHEMBL27047963 0.81 SYK (0.46) SYKSSTR4ATRAAK1NPC1
SCHEMBL13302732 0.81 SYK (0.40) SYKSSTR4ATRAAK1NPC1
SCHEMBL18620983 0.80 SYK (0.33) SYKNPC1RAB9APDPK1USP30
SCHEMBL22000176 0.80 KDM4E (0.48) SYKATRNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024009232-A1 SUBSTITUTED N-(PYRIDIN-2-YL)ACETAMIDE DERIVATIVES AS CDK12/13 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2024-01-11 WO disclosed
US-11059786-B2 Aminopyridine compounds and methods for the preparation and use thereof Cortexyme, Inc. (US) 2021-07-13 US disclosed
US-20200148642-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF Cortexyme, Inc. (US) 2020-05-14 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 (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-20200148642-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF ENPEP, DNPEP, ANPEP SYK 2561/4885SSTR4 3304/4885ATR 1968/4885
US-11059786-B2 Aminopyridine compounds and methods for the preparation and use thereof ENPEP, DNPEP, ANPEP SYK 2561/4885SSTR4 3304/4885ATR 1968/4885

“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.