SCHEMBL3344539

SCHEMBL3344539

CCc1c(C(N)=O)cccc1-c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.39
CSNK1A1 P48729 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
TYRO3 Q06418 1/20 0.37
FGFR1 P11362 2/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
PDGFRA P16234 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
PRKX P51817 1/20 0.35
CDK5 Q00535 1/20 0.35
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL2650295 0.81 CSNK1A1 (0.54) PARP1CSNK1A1DYRK1BTYRO3FGFR1
SCHEMBL27622291 0.80 CCNC (0.32) PARP1CCNCCDK8
SCHEMBL3344532 0.80 PARP1 (0.40) PARP1CSNK1A1DYRK1BFGFR1PLK4
SCHEMBL3914170 0.78 CSNK1A1 (0.44) PARP1CSNK1A1DYRK1BTYRO3FGFR1
SCHEMBL12892363 0.74 PDK2 (0.38) CSNK1A1DYRK1BTYRO3HTTKDM4E
SCHEMBL45719 0.74 PARP1 (0.51) PARP1BCAT2KEAP1NFE2L2LMNA
SCHEMBL28665677 0.73 BCAT2 (0.51) PARP1CSNK1A1DYRK1BTYRO3FGFR1
SCHEMBL15550994 0.73 RAB9A (0.58) PARP1HTTKDM4EALDH1A1HPGD
SCHEMBL4950617 0.72 BCAT2 (0.54) PARP1CSNK1A1DYRK1BTYRO3CHEK1
SCHEMBL4434798 0.72 BCAT2 (0.44) PARP1FGFR1BCAT2KEAP1NFE2L2

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-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 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-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B PARP1 900/4885CSNK1A1 338/4885DYRK1B 3314/4885

“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.