SCHEMBL3346853

SCHEMBL3346853

CN(C)CCOc1ccc(N)cc1.O=C(Nc1ncc[nH]1)c1ccc(-c2cncc3ccccc23)c2nccnc12.O=C(O)c1ccc(-c2cncc3ccccc23)c2nccnc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 10/20 0.48
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PIM1 P11309 1/20 0.33
PTPN1 P18031 1/20 0.33
HDAC1 Q13547 1/20 0.32
HPGDS O60760 1/20 0.32
CD38 P28907 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
SCHEMBL3346457 0.88 FGFR3 (0.38) FGFR3ADORA2AADORA1CYSLTR1KDM4E
SCHEMBL3352671 0.85 FGFR3 (0.44) FGFR3ADORA2AADORA1
SCHEMBL1126690 0.83 FGFR3 (0.51) FGFR3KDM4EALDH1A1
SCHEMBL1126337 0.83 FGFR3 (0.42) FGFR3ADORA2AADORA1HDAC1
SCHEMBL1126454 0.82 FGFR3 (0.59) FGFR3KDM4EHPGDS
SCHEMBL1127069 0.78 FGFR3 (0.49) FGFR3HPGDS
SCHEMBL3348914 0.77 FGFR3 (0.42) FGFR3KDM4EALDH1A1HPGDS
SCHEMBL17023109 0.73 HRH3 (0.41) FGFR3KDM4EALDH1A1
SCHEMBL1126916 0.72 FGFR3 (0.47) FGFR3KDM4E
SCHEMBL1126038 0.72 FGFR3 (0.51) FGFR3KDM4EALDH1A1

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 FGFR3 1515/4885ADORA2A 2998/4885ADORA1 3187/4885

“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.