SCHEMBL6421058

SCHEMBL6421058

Nc1cnc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.61
PRKD3 O94806 2/20 0.61
MAP4K4 O95819 2/20 0.61
RET P07949 2/20 0.61
PIM1 P11309 2/20 0.61
KDR P35968 2/20 0.61
GSK3A P49840 2/20 0.61
GSK3B P49841 2/20 0.61
CDK5 Q00535 2/20 0.61
MAP4K2 Q12851 2/20 0.61
AURKB Q96GD4 2/20 0.61
CLK4 Q9HAZ1 2/20 0.61
TYRO3 Q06418 2/20 0.61
DYRK1B Q9Y463 2/20 0.61
AURKA O14965 1/20 0.61
DAPK3 O43293 1/20 0.61
JAK2 O60674 1/20 0.61
PAK4 O96013 1/20 0.61
ABL1 P00519 1/20 0.61
NTRK1 P04629 1/20 0.61

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
SCHEMBL31425375 0.76 PRKD3 (0.61) RPS6KA3PRKD3MAP4K4RETPIM1
SCHEMBL13290171 0.76 PRKD3 (0.61) RPS6KA3PRKD3MAP4K4RETPIM1
SCHEMBL481676 0.76 DYRK1A (1.00) RPS6KA3PRKD3MAP4K4RETPIM1
SCHEMBL13564022 0.76 PRKD3 (0.61) RPS6KA3PRKD3MAP4K4RETPIM1
SCHEMBL8199342 0.76 PRKD3 (0.61) RPS6KA3PRKD3MAP4K4RETPIM1
SCHEMBL30555653 0.74 PRKD3 (0.54) RPS6KA3PRKD3MAP4K4RETPIM1
SCHEMBL30176559 0.73 PRKD3 (0.64) RPS6KA3PRKD3MAP4K4RETPIM1
SCHEMBL23773948 0.72 PRKD3 (0.56) RPS6KA3PRKD3MAP4K4RETPIM1
SCHEMBL6813381 0.72 PRKD3 (0.56) RPS6KA3PRKD3MAP4K4RETPIM1
SCHEMBL22160853 0.72 PRKD3 (0.56) RPS6KA3PRKD3MAP4K4RETPIM1

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-20050004133-A1 Modulators of VR1 receptor VERTEX PHARMACEUTICALS INCORPORATED 2005-01-06 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-20050004133-A1 Modulators of VR1 receptor TRPV1, TRPV2, TRPV3 RPS6KA3 2006/4885PRKD3 1389/4885MAP4K4 2093/4885

“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.