SCHEMBL3316159

SCHEMBL3316159

Cc1cccc(C)c1-c1ccc(C(=O)O)c2nccnc12.NC(=O)c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.41
CSNK1A1 P48729 1/20 0.40
TYRO3 Q06418 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.34
PARP1 P09874 2/20 0.33
DHODH Q02127 1/20 0.33
FGFR3 P22607 3/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TYMS P04818 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL3316168 0.86 MYC (0.43) MYCCSNK1A1TYRO3DYRK1BRAB9A
SCHEMBL1126160 0.85 MYC (0.54) MYCRAB9ADHODHFGFR3KDM5A
SCHEMBL3318017 0.77 FGFR3 (0.43) CSNK1A1TYRO3DYRK1BRAB9AKMT2A
SCHEMBL1126565 0.76 FGFR3 (0.45) FGFR3HSD17B10
SCHEMBL3316051 0.71 FGFR3 (0.51) FGFR3
SCHEMBL34651 0.69
Biphenyl SCHEMBL27718930 0.68 CSNK1A1 (0.49) CSNK1A1TYRO3DYRK1BNPC1RAB9A
SCHEMBL29054844 0.68 CSNK1A1 (0.50) MYCCSNK1A1TYRO3DYRK1BKMT2A
Hydrochloric Acid SCHEMBL4023730 0.68 NPC1 (0.47) CSNK1A1TYRO3DYRK1BNPC1RAB9A
SCHEMBL9786602 0.68

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-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives NOVARTIS AG 2010-04-29 US claimed

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-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives ABL1, NQO2, MAP4K5 MYC 954/4885CSNK1A1 12/4885TYRO3 69/4885

“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.