SCHEMBL24618330

SCHEMBL24618330

CCc1c(C(F)F)nn2c(N)c(C#N)c(S(C)(=O)=O)nc12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.33
KDM4E B2RXH2 3/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
FPR1 P21462 1/20 0.32
ALDH1A1 P00352 2/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL24618146 0.83 KDM5A (0.41) KDM5AKDM4EKMT2AMAPTHPGD
SCHEMBL24618630 0.79 KDM5A (0.32) KDM5AKMT2AMAPT
SCHEMBL24618329 0.79 ALDH1A1 (0.35) KDM5AKDM4EKMT2AMAPTHPGD
SCHEMBL24618324 0.77 KMT2A (0.36) KDM5AKDM4EKMT2AMAPTHPGD
SCHEMBL24618505 0.76 KDM4E (0.37) KDM5AKDM4EKMT2AMAPTHPGD
SCHEMBL24618608 0.76 KDM5A (0.35) KDM5AKDM4EKMT2AMAPTHPGD
SCHEMBL24618202 0.73 KMT2A (0.38) KDM5AKDM4EKMT2AMAPTHPGD
SCHEMBL24618337 0.72 KDM4E (0.38) KDM5AKDM4EKMT2AMAPTHPGD
SCHEMBL24618320 0.71 KMT2A (0.36) KDM5AKDM4EKMT2AMAPTHPGD
SCHEMBL24618179 0.71 KMT2A (0.37) KDM4EKMT2AMAPTHPGDCYP1A2

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 8 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
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
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
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 KDM5A 3195/4885KDM4E 4071/4885KMT2A 4008/4885
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 KDM5A 3169/4885KDM4E 4427/4885KMT2A 3843/4885

“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.