SCHEMBL3516664

SCHEMBL3516664

[2H]C([2H])([2H])Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.38
KDR P35968 7/20 0.38
AAK1 Q2M2I8 1/20 0.35
DGAT1 O75907 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
FFAR1 O14842 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ALPL P05186 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL2066816 0.92 PDGFRB (0.39) PDGFRBKDRAAK1DGAT1GSK3A
SCHEMBL2068433 0.83 GSK3A (0.38) PDGFRBKDRAAK1DGAT1GSK3A
SCHEMBL15002385 0.83 AAK1 (0.39) PDGFRBKDRAAK1DGAT1GSK3A
SCHEMBL17609622 0.79 AAK1 (0.39) PDGFRBKDRAAK1DGAT1GSK3A
SCHEMBL23275245 0.77 AAK1 (0.40) PDGFRBKDRAAK1DGAT1GSK3A
SCHEMBL182702 0.77 PDGFRB (0.44) PDGFRBKDRAAK1DGAT1GSK3A
SCHEMBL16618405 0.77 PDGFRB (0.40) PDGFRBKDRAAK1DGAT1GSK3A
SCHEMBL30805509 0.77 PDGFRB (0.44) PDGFRBKDRAAK1DGAT1GSK3A
SCHEMBL30507065 0.77 PDGFRB (0.40) PDGFRBKDRAAK1DGAT1GSK3A
SCHEMBL16046359 0.75 AAK1 (0.44) PDGFRBKDRAAK1DGAT1GSK3A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 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 (2 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-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 PDGFRB 2880/4885KDR 1664/4885AAK1 136/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 PDGFRB 2880/4885KDR 1664/4885AAK1 136/4885

“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.