SCHEMBL6818462

SCHEMBL6818462

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(Oc4cc(C(F)(F)F)ccn4)cc23)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.36
FAAH O00519 1/20 0.36
ADORA1 P30542 1/20 0.35
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MAT2A P31153 1/20 0.34
SCN9A Q15858 2/20 0.33
P2RX3 P56373 1/20 0.33
FPR2 P25090 1/20 0.33
GRIA1 P42261 1/20 0.33
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6821484 0.88 ADORA1 (0.38) ADORA1GRIA1
SCHEMBL6818467 0.85 DRD1 (0.37) GSK3BADORA1SCN9AP2RX3FPR2
SCHEMBL6822033 0.84 ADORA1 (0.41) FAAHADORA1
SCHEMBL6821458 0.83 ADORA1 (0.39) GSK3BFAAHADORA1
SCHEMBL6818396 0.82 ADORA1 (0.38) ADORA1GRIA1
SCHEMBL6821470 0.82 ADORA1 (0.36) GSK3BADORA1NPC1RAB9A
SCHEMBL6821959 0.81 ADORA1 (0.42) ADORA1
SCHEMBL6822058 0.81 ADORA1 (0.42) ADORA1
SCHEMBL6822257 0.81 ADORA1 (0.43) ADORA1GRIA1SMN1; SMN2
SCHEMBL6822546 0.79 ADORA1 (0.41) ADORA1

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-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 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-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof ADRB1, ADRA1D, ADRB3 GSK3B 779/4885FAAH 1894/4885ADORA1 22/4885

“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.