SCHEMBL12435540

SCHEMBL12435540

Cn1c2cnc(-c3cccnc3)cc2c2c(-c3ccc(NS(=O)(=O)C4CC4)cc3)c(F)cnc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 12/20 0.43
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PRKDC P78527 1/20 0.37
PRMT6 Q96LA8 2/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FRS2 Q8WU20 1/20 0.36
CTPS2 Q9NRF8 1/20 0.36
MAP2K4 P45985 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
SCHEMBL1560996 0.88 CTPS1 (0.40) CTPS1IDO1TDO2CKS1BSKP2
SCHEMBL12435525 0.86 MAPK10 (0.35)
SCHEMBL12435522 0.81 PIM1 (0.39)
SCHEMBL1560967 0.81 CTPS1 (0.45) CTPS1IDO1TDO2CKS1BSKP2
SCHEMBL11929456 0.79 SLC2A1 (0.44)
SCHEMBL12435461 0.75 PIM1 (0.46)
SCHEMBL1561368 0.75 POLB (0.36) CKS1BSKP2
SCHEMBL12435549 0.75 PDPK1 (0.39) FGFR1FGFR2FGFR4FGFR3
SCHEMBL12435456 0.74 CYP2A6 (0.43)
SCHEMBL11929454 0.74 CYP2A6 (0.43)

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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B CTPS1 893/4885IDO1 2358/4885TDO2 3156/4885

“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.