SCHEMBL29337495

SCHEMBL29337495

Cc1ncncc1C(=N)N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
UBE2T Q9NPD8 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 1/20 0.31
P2RX7 Q99572 1/20 0.31
NOS1 P29475 1/20 0.31
ABL1 P00519 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
SCHEMBL24166309 0.79 SIRT3 (0.50) SIRT3TDP1ABL1
SCHEMBL18033428 0.75 PRSS1 (0.33) PRSS1PRSS2PRSS3
SCHEMBL29364820 0.72 HPGD (0.47) TDP1ABL1
SCHEMBL1667344 0.72 HPGD (0.47) TDP1ABL1
SCHEMBL8578654 0.72 SMN1; SMN2 (0.45) SIRT3TDP1ABL1
SCHEMBL15473326 0.72
SCHEMBL27725504 0.71 ABL1 (0.38) SIRT3TDP1P2RX7ABL1
SCHEMBL24144945 0.71 SYK (0.39)
Hydrochloric Acid SCHEMBL22042768 0.69 SYK (0.38)
Hydrochloric Acid SCHEMBL22042723 0.69 PRSS1 (0.31) PRSS1PRSS2C1SPRSS3

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-12043615-B2 Fluorine-containing pyrimidine compound and method for manufacturing the same UNIMATEC CO., LTD. (JP) 2024-07-23 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-12043615-B2 Fluorine-containing pyrimidine compound and method for manufacturing the same CNOT1, NUDT1, XRN2 SIRT3 1714/4885TDP1 208/4885UBE2T 2732/4885

“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.