SCHEMBL6971482

SCHEMBL6971482

Cc1nn(CC(C)C)cc1N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
RPS6KB1 P23443 2/20 0.34
GSK3B P49841 1/20 0.34
ACHE P22303 2/20 0.33
RECQL P46063 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL16662380 0.85 ADORA2A (0.35) RECQLADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL1662616 0.82 PDE2A (0.33) RECQL
SCHEMBL17076748 0.82
SCHEMBL15652340 0.82 ADA (0.30)
SCHEMBL15650617 0.82
SCHEMBL12427864 0.82 RPS6KB1 (0.35) ALDH1A1RPS6KB1GSK3BACHEADORA3
SCHEMBL19121717 0.79 ACHE (0.35) ACHESMN1; SMN2
SCHEMBL20555402 0.78
SCHEMBL20555403 0.78
SCHEMBL267216 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358879-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-15 US disclosed
EP-4046688-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2025-04-09 EP disclosed
US-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2024-08-13 US disclosed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-20230322683-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
EP-4046688-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-08-24 EP disclosed
US-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2022-07-14 US disclosed
WO-2021075476-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 2021-04-22 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP 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 (5 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-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 ALDH1A1 815/4885RPS6KB1 694/4885GSK3B 1223/4885
US-20230322683-A1 HETEROCYCLIC COMPOUND PARK7, SMN1; SMN2, SNCA ALDH1A1 1856/4885RPS6KB1 2296/4885GSK3B 498/4885
US-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 ALDH1A1 815/4885RPS6KB1 694/4885GSK3B 1223/4885
US-12358879-B2 Heterocyclic compound PARK7, SMN1; SMN2, SNCA ALDH1A1 1856/4885RPS6KB1 2296/4885GSK3B 498/4885
US-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK ALDH1A1 651/4885RPS6KB1 3771/4885GSK3B 30/4885

“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.