SCHEMBL29792012

SCHEMBL29792012

CC(C)(C)OC(=O)NCCCn1cccc(CCN2C(=O)c3ccccc3C2=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
DRD2 P14416 5/20 0.42
CAMK2D Q13557 3/20 0.42
PDPK1 O15530 1/20 0.42
CCNB2 O95067 1/20 0.42
PRKCB P05771 1/20 0.42
CDK1 P06493 1/20 0.42
LYN P07948 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
RPS6KA3 P51812 1/20 0.42
CCNA1 P78396 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL24618544 1.00 BRD4 (0.42) BRD4DRD2CAMK2DPDPK1CCNB2
SCHEMBL30320137 0.94 MALT1 (0.43) BRD4DRD2TPSAB1TPSD1TPSG1
SCHEMBL25607654 0.94 MALT1 (0.43) BRD4DRD2TPSAB1TPSD1TPSG1
SCHEMBL24618412 0.85 DRD2 (0.48) DRD2CAMK2DPDPK1CCNB2PRKCB
SCHEMBL29792062 0.85 MTNR1A (0.41)
SCHEMBL24618541 0.85 MTNR1A (0.41)
SCHEMBL24618706 0.84 DRD2 (0.43) DRD2CAMK2DPDPK1CCNB2PRKCB
SCHEMBL25974776 0.84 MALT1 (0.52) BRD4DRD2TPSAB1TPSD1TPSG1
SCHEMBL24618673 0.82 MAOB (0.41) TDP1
SCHEMBL8139824 0.80 BRD4 (0.53) BRD4DRD2TPSAB1TPSD1TPSG1

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
US-12577247-B2 Diaminopyrazolo[1,5-a]pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonist Bugworks Research, Inc. (US) 2026-03-17 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
EP-4121431-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. (US) 2023-01-25 EP 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 (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-12577247-B2 Diaminopyrazolo[1,5-a]pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonist ADORA1, ADORA3, ADORA2A BRD4 4189/4885DRD2 239/4885CAMK2D 2522/4885
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 BRD4 4370/4885DRD2 369/4885CAMK2D 2236/4885

“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.