SCHEMBL25547346

SCHEMBL25547346

Cc1nc(N)nc2c1ncn2Cc1c(F)cccc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.63
ADORA1 P30542 3/20 0.63
HSP90AA1 P07900 3/20 0.48
HSP90AB1 P08238 3/20 0.48
AXL P30530 2/20 0.47
MERTK Q12866 2/20 0.47
FLT3 P36888 1/20 0.47
TYRO3 Q06418 1/20 0.47
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43

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
SCHEMBL9738975 0.86 ADORA2A (0.65) ADORA2AADORA1HSP90AA1HSP90AB1AXL
SCHEMBL23416524 0.84 ADORA2A (0.63) ADORA2AADORA1HSP90AA1HSP90AB1HDAC6
SCHEMBL9740849 0.84 ADORA2A (0.59) ADORA2AADORA1AXLMERTKFLT3
SCHEMBL9739894 0.84 AXL (0.64) ADORA2AADORA1AXLMERTKFLT3
SCHEMBL3269247 0.77 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL23416501 0.77 ADORA2A (0.60) ADORA2AADORA1AXLMERTKTYRO3
SCHEMBL3959823 0.76 PDE8A (0.67) ADORA2AADORA1CDK1PDE8A
SCHEMBL9738479 0.76 AXL (0.53) ADORA2AADORA1AXLMERTKFLT3
SCHEMBL9739172 0.76 ADORA2A (0.51) ADORA2AADORA1AXLMERTKFLT3
SCHEMBL19829082 0.75 CCNE1 (0.73) ADORA2AADORA1HSP90AA1HSP90AB1CDK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159534-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-05-25 US 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-20230159534-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885HSP90AA1 2208/4885

“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.