SCHEMBL6822166

SCHEMBL6822166

COc1ccn2nc(-c3ccc(F)cc3)c(-c3ccc(=O)n(C)n3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
ADORA1 P30542 3/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
GSK3B P49841 1/20 0.37
SCN4A P35499 1/20 0.36
SRC P12931 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
PTGS2 P35354 3/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
NPY5R Q15761 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6822006 0.89 ADORA1 (0.46) ADORA1EGFRLMNA
SCHEMBL6822087 0.87 ADORA1 (0.43) MAPK14ADORA1MEN1KMT2A
SCHEMBL6821421 0.87 MAPK14 (0.42) MAPK14ADORA1ADORA2AADORA2BEGFR
SCHEMBL6818465 0.87 MAPK14 (0.42) MAPK14ADORA1ADORA2AADORA2BEGFR
SCHEMBL6824871 0.83 NPC1 (0.38) ADORA1ADORA2AADORA2BGSK3BMEN1
SCHEMBL6824619 0.82 LMNA (0.46) MAPK14ADORA1ADORA2AADORA2BEGFR
SCHEMBL8193833 0.79 ADORA1 (0.52) MAPK14ADORA1ADORA2AADORA2BEGFR
SCHEMBL5382141 0.78 MAPK14 (0.72) MAPK14ADORA1ADORA2AADORA2BEGFR
SCHEMBL6822151 0.76 ADORA1 (0.54) ADORA1
SCHEMBL6821959 0.76 ADORA1 (0.42) ADORA1EGFR

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 MAPK14 3737/4885ADORA1 22/4885ADORA2A 34/4885

“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.