SCHEMBL18176339

SCHEMBL18176339

[2H]C([2H])(C)n1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cc3n2)cn1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 20/20 0.86
FGFR2 P21802 16/20 0.86
FGFR3 P22607 16/20 0.86
FGFR4 P22455 15/20 0.86
KDR P35968 13/20 0.86
ADORA3 P0DMS8 1/20 0.79
CHRM1 P11229 1/20 0.79
ADRA2C P18825 1/20 0.79
SLC6A2 P23975 1/20 0.79
SLC6A4 P31645 1/20 0.79
DRD3 P35462 1/20 0.79
OPRD1 P41143 1/20 0.79
ETV6 P41212 1/20 0.79
HTR2B P41595 1/20 0.79
SLC6A3 Q01959 1/20 0.79
PDE4D Q08499 1/20 0.79
FLT3 P36888 4/20 0.77
HDAC1 Q13547 4/20 0.72
HDAC2 Q92769 1/20 0.70
HDAC8 Q9BY41 1/20 0.70

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
SCHEMBL2585583 0.93 FGFR1 (0.98) FGFR1FGFR2FGFR3FGFR4KDR
Hydrochloric Acid SCHEMBL27218142 0.93 FGFR1 (1.00) FGFR1FGFR2FGFR3FGFR4KDR
SCHEMBL18176515 0.92 FGFR1 (0.86) FGFR1FGFR2FGFR3FGFR4KDR
SCHEMBL2583984 0.89 FGFR1 (0.84) FGFR1FGFR2FGFR3FGFR4KDR
Erdafitinib SCHEMBL2583760 0.88 FGFR1 (1.00) FGFR1FGFR2FGFR3FGFR4KDR
Erdafitinib SCHEMBL29359988 0.88 FGFR1 (1.00) FGFR1FGFR2FGFR3FGFR4KDR
SCHEMBL12178260 0.88 FGFR1 (0.86) FGFR1FGFR2FGFR3FGFR4KDR
Erdafitinib SCHEMBL16642098 0.88 FGFR3 (1.00) FGFR1FGFR2FGFR3FGFR4KDR
Erdafitinib SCHEMBL17979118 0.87 FGFR3 (1.00) FGFR1FGFR2FGFR3FGFR4KDR
SCHEMBL12179221 0.87 FGFR1 (0.98) FGFR1FGFR2FGFR3FGFR4KDR

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-20160311800-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2016-10-27 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-20160311800-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 FGFR1 1681/4885FGFR2 3362/4885FGFR3 2685/4885

“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.