SCHEMBL25320586

SCHEMBL25320586

[2H]C([2H])([2H])Oc1cnc(Cl)nc1N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX3 P56373 6/20 0.35
P2RX2 Q9UBL9 6/20 0.35
PIN1 Q13526 2/20 0.33
CDK1 P06493 1/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
DHFR P00374 1/20 0.31
NNMT P40261 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
SCHEMBL30151419 0.86 KDM4E (0.52) CSNK1A1CLK4KDM4EALDH1A1SMN1; SMN2
SCHEMBL840684 0.86 KDM4E (0.52) CSNK1A1CLK4KDM4EALDH1A1SMN1; SMN2
SCHEMBL30068026 0.76 TLR8 (0.45) CSNK1A1CLK4KDM4EALDH1A1SMN1; SMN2
SCHEMBL25323208 0.76 TLR8 (0.45) CSNK1A1CLK4KDM4EALDH1A1SMN1; SMN2
SCHEMBL26627840 0.74 TLR8 (0.44) CSNK1A1CLK4KDM4EALDH1A1SMN1; SMN2
SCHEMBL16685657 0.70 CSNK1A1 (0.42) CSNK1A1CLK4KDM4EALDH1A1SMN1; SMN2
SCHEMBL25902427 0.70 CSNK1A1 (0.42) CSNK1A1CLK4KDM4EALDH1A1SMN1; SMN2
SCHEMBL26627777 0.70 CSNK1A1 (0.46) CSNK1A1CLK4KDM4EALDH1A1SMN1; SMN2
SCHEMBL30462039 0.70 CSNK1A1 (0.46) CSNK1A1CLK4KDM4EALDH1A1SMN1; SMN2
SCHEMBL28557324 0.69 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 US disclosed
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 EP disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 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-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 CSNK1A1 180/4885CLK4 1335/4885KDM4E 958/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 CSNK1A1 180/4885CLK4 1335/4885KDM4E 958/4885

“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.