SCHEMBL6824733

SCHEMBL6824733

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(C(=O)NC4CC4)cc23)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.43
ADORA2A P29274 1/20 0.43
MAPK14 Q16539 5/20 0.40
TTK P33981 2/20 0.39
DGAT2 Q96PD7 1/20 0.39
MAPK11 Q15759 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KHK P50053 1/20 0.37
PDE4B Q07343 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL6822208 0.96 CNR1 (0.42) ADORA1ADORA2AMEN1KMT2ASMN1; SMN2
SCHEMBL6822494 0.88 ADORA1 (0.43) ADORA1
SCHEMBL6818544 0.88 ADORA1 (0.46) ADORA1KMT2ASMN1; SMN2
SCHEMBL6822105 0.87 ADORA1 (0.43) ADORA1ADORA2A
SCHEMBL6822341 0.86 ADORA1 (0.42) ADORA1
SCHEMBL6824869 0.86 ADORA1 (0.42) ADORA1DGAT2
SCHEMBL6822202 0.85 ALDH1A1 (0.45) ADORA1MEN1KMT2A
SCHEMBL6821913 0.84 ADORA1 (0.43) ADORA1MEN1KMT2ASMN1; SMN2
SCHEMBL6822354 0.84 ADORA1 (0.43) ADORA1MEN1KMT2ASMN1; SMN2
SCHEMBL6822459 0.84 ADORA1 (0.41) ADORA1PIK3CAPIK3CG

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

“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.