SCHEMBL6822338

SCHEMBL6822338

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(C(=O)NCCN4CCCC4)cc23)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ADORA1 P30542 2/20 0.43
ADORA2A P29274 1/20 0.43
ATR Q13535 2/20 0.40
MAP4K4 O95819 1/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 1/20 0.40
CACNA1G O43497 2/20 0.39
CAMK2D Q13557 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL6822341 0.88 ADORA1 (0.42) ADORA1GAA
SCHEMBL6821913 0.87 ADORA1 (0.43) MEN1KMT2AADORA1CAMK2DGAA
SCHEMBL6822459 0.86 ADORA1 (0.41) ADORA1GAAMAPT
SCHEMBL6821972 0.86 CAMK2D (0.44) ADORA1CAMK2D
SCHEMBL6822550 0.85 ADORA1 (0.40) ADORA1GAA
SCHEMBL6821521 0.85 MAPK1 (0.41) KMT2AADORA1
SCHEMBL6822105 0.85 ADORA1 (0.43) ADORA1ADORA2A
SCHEMBL6822494 0.84 ADORA1 (0.43) ADORA1
SCHEMBL6824733 0.83 ADORA1 (0.43) MEN1KMT2AADORA1ADORA2A
SCHEMBL6818751 0.83 ADORA1 (0.42) MEN1KMT2AADORA1ADORA2A

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 MEN1 4061/4885KMT2A 3405/4885ADORA1 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.