SCHEMBL25614254

SCHEMBL25614254

CO[C@H](CO)[C@@H](O)[C@@H](O)n1cnc2c(N)nc(SC)nc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.39
CDK2 P24941 2/20 0.39
P2RY1 P47900 8/20 0.38
ENPP1 P22413 2/20 0.38
P2RY12 Q9H244 2/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
P2RY11 Q96G91 3/20 0.37
BLM P54132 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RX1 P51575 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RY6 Q15077 1/20 0.37
P2RX4 Q99571 1/20 0.37
PMP22 Q01453 1/20 0.36

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
SCHEMBL24829641 0.86 CDK1 (0.53) CDK1CDK2CCNB1CCNE1
SCHEMBL27385177 0.83 CDK1 (0.40) CDK1CDK2P2RY1ENPP1P2RY12
SCHEMBL21257337 0.81 CDK1 (0.38) CDK1CDK2P2RY1ENPP1P2RY12
SCHEMBL27426174 0.79 CDK1 (0.37) CDK1CDK2P2RY1ENPP1P2RY12
SCHEMBL21710849 0.78 ADORA2A (0.49) CDK1CDK2CCNB1CCNE1
SCHEMBL19049976 0.77 HSP90AB1 (0.42) CDK1CDK2CCNB1CCNE1
SCHEMBL19049964 0.76 CDK1 (0.52) CDK1CDK2CCNB1CCNE1
SCHEMBL23169714 0.76 MEN1 (0.52) BLMLMNAKMT2A
SCHEMBL19464992 0.75 CDK1 (0.41) CDK1CDK2P2RY1ENPP1P2RY12
SCHEMBL27425667 0.73 CDK1 (0.39) CDK1CDK2P2RY1ENPP1P2RY12

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-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-06-01 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-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 CDK1 2657/4885CDK2 3539/4885P2RY1 1828/4885

“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.