SCHEMBL10177281

SCHEMBL10177281

Nc1cccc(-c2cnc3cc(-c4cnn(C5CCNCC5)c4)cnn23)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 11/20 0.52
ALK Q9UM73 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
NTRK1 P04629 1/20 0.48
MET P08581 3/20 0.48
GRK2 P25098 2/20 0.48
GRK5 P34947 2/20 0.48
FLT3 P36888 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
JAK2 O60674 2/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL10177430 0.82 MAP3K7 (0.46) MAP4K3MET
SCHEMBL10176578 0.81 MAP3K7 (0.46) MAP4K3MET
SCHEMBL10177301 0.81 MAP3K7 (0.46) MAP4K3MET
SCHEMBL10177429 0.81 FGFR3 (0.47) MAP4K3MET
SCHEMBL10176117 0.80 MAP3K7 (0.46) MAP4K3MET
SCHEMBL10145517 0.80 FGFR3 (0.57) MAP4K3IRAK4METGRK2GRK5
SCHEMBL10176243 0.80 KDR (0.46) MET
SCHEMBL10176246 0.80 FGFR3 (0.51) MAP4K3MET
SCHEMBL10176110 0.80 MET (0.54) MET
SCHEMBL10176389 0.79 FYN (0.45) NTRK1METFLT3

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-20120165305-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AND BENZIMIDAZOLES AS INHIBITORS OF FGFR3 INCYTE CORPORATION 2012-06-28 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-20120165305-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AND BENZIMIDAZOLES AS INHIBITORS OF FGFR3 FGFR3, FGFR4, FGFR2 MAP4K3 519/4885ALK 19/4885IRAK4 137/4885

“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.