SCHEMBL24618692

SCHEMBL24618692

COC(=O)C1CCCC1n1ccc(C=O)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.36
▸ SLC6A4 P31645 4/20 0.36
▸ XDH P47989 1/20 0.34
▸ SLC6A3 Q01959 3/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM3 P20309 1/20 0.33

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
SCHEMBL25607643 0.83 MAPT (0.33) SLC6A2SLC6A4
SCHEMBL28994106 0.83 MAPT (0.33) SLC6A2SLC6A4
SCHEMBL24618613 0.83 XDH (0.32) XDH
SCHEMBL24618340 0.81 KCNH2 (0.35) —
SCHEMBL30267320 0.78 SMN1; SMN2 (0.38) —
SCHEMBL25607653 0.77 CDK5 (0.35) —
SCHEMBL26664472 0.71 SIGMAR1 (0.35) —
SCHEMBL25363826 0.69 ALDH1A1 (0.31) —
SCHEMBL29947958 0.68 SIGMAR1 (0.39) —
SCHEMBL15714714 0.66 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CNR2

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-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 — — US disclosed
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 — — US disclosed
CN-115867553-A Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists 巴格沃克斯研究有限公司 2023-03-28 — — CN disclosed
WO-2022149167-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST BUGWORKS RESEARCH INDIA PVT LTD (IN) 2022-07-14 — — WO 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-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 SLC6A2 559/4885SLC6A4 476/4885XDH 209/4885

“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.

Send feedback