SCHEMBL25607653

SCHEMBL25607653

COC(=O)C1CC(n2ccc(C=O)n2)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LATS1 O95835 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL30267320 0.88 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL28994121 0.81 MAPT (0.36) CDK5CDK5R1SMN1; SMN2NPC1RAB9A
SCHEMBL25607652 0.81 MAPT (0.36) CDK5CDK5R1SMN1; SMN2NPC1RAB9A
SCHEMBL17926705 0.79 ATM (0.33) CHRNB2CHRNA4CHRNA3MEN1KMT2A
SCHEMBL24289502 0.78 FAAH (0.38) CDK5CDK5R1CHRNB2CHRNA4CHRNB4
SCHEMBL27090623 0.78 FAAH (0.38) CDK5CDK5R1CHRNB2CHRNA4CHRNB4
SCHEMBL24618692 0.77 SLC6A2 (0.36) —
SCHEMBL24618613 0.74 XDH (0.32) —
SCHEMBL25363826 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL24288904 0.73 CDK5 (0.34) CDK5CDK5R1CHRNB2CHRNA4CHRNB4

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
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

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 CDK5 332/4885CDK5R1 193/4885CHRNB2 321/4885

“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