SCHEMBL25136408

SCHEMBL25136408

Cn1cncc1-c1cnc(N)c(C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
ATR Q13535 15/20 0.39
PRKDC P78527 5/20 0.37
CYP3A4 P08684 1/20 0.36
HPGDS O60760 1/20 0.36
CHEK1 O14757 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
IDO1 P14902 1/20 0.35
ATM Q13315 1/20 0.34

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
Hydrochloric Acid SCHEMBL29182167 0.99 PDPK1 (0.39) PDPK1ATRPRKDCCYP3A4HPGDS
SCHEMBL25136435 0.86 PDPK1 (0.43) PDPK1ATRPRKDC
SCHEMBL30182839 0.86 PDPK1 (0.43) PDPK1ATRPRKDC
SCHEMBL25136322 0.84 LDLR (0.38) PDPK1HPGDSIDO1
Hydrochloric Acid SCHEMBL29182214 0.83 LDLR (0.37) PDPK1HPGDSIDO1
SCHEMBL25136318 0.82 PDPK1 (0.39) PDPK1CYP3A4HPGDSIDO1
Hydrochloric Acid SCHEMBL29182228 0.81 PDPK1 (0.38) PDPK1CYP3A4HPGDSIDO1
SCHEMBL30834341 0.77 DGAT1 (0.40) PDPK1CYP3A4HPGDSIDO1
SCHEMBL25136068 0.74 ACVR2A (0.48) ATR
SCHEMBL25136064 0.73 ATR (0.47) ATRPRKDC

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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT PDPK1 2670/4885ATR 3800/4885PRKDC 4661/4885

“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.