SCHEMBL29792017

SCHEMBL29792017

COCc1cccc(CCN)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.42
KCNH2 Q12809 4/20 0.41
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
CXCR4 P61073 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
POLB P06746 1/20 0.34
BACE1 P56817 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MAOB P27338 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
SCHEMBL24618108 1.00 HRH1 (0.42) HRH1KCNH2NOS1NOS2CXCR4
SCHEMBL4276755 0.85 KCNH2 (0.52) KCNH2ADORA2AADORA1NPSR1ADORA3
SCHEMBL537491 0.84 KCNH2 (0.44) KCNH2NOS1NOS2CXCR4ADORA2A
SCHEMBL522064 0.83 HRH1 (0.56) HRH1KCNH2NOS1NOS2TAAR1
SCHEMBL24611859 0.82 KCNH2 (0.52) KCNH2NOS1NOS2CXCR4ADORA2A
SCHEMBL27779378 0.81 KCNH2 (0.41) KCNH2NOS1NOS2ADORA2AADORA1
SCHEMBL29792041 0.78 KCNH2 (0.50) HRH1KCNH2NOS1NOS2CXCR4
SCHEMBL24618405 0.78 KCNH2 (0.50) HRH1KCNH2NOS1NOS2CXCR4
SCHEMBL13564633 0.78 KCNH2 (0.45) KCNH2CXCR4ADORA2AADORA1NPSR1
SCHEMBL25607673 0.78 KCNH2 (0.55) HRH1KCNH2NOS1NOS2TAAR1

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 HRH1 126/4885KCNH2 243/4885NOS1 2811/4885
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 HRH1 567/4885KCNH2 2426/4885NOS1 3584/4885

“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.