SCHEMBL6824296

SCHEMBL6824296

CC(=O)N1CCN(C(=O)c2ccn3nc(-c4ccccc4)c(-c4ccc(=O)n(C(C)C)n4)c3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.41
ADORA2A P29274 3/20 0.40
TP53 P04637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ABCB1 P08183 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
PARP1 P09874 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
SMO Q99835 1/20 0.35
POLB P06746 1/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 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
SCHEMBL6818425 0.93 ALDH1A1 (0.46) ADORA1ADORA2AHRH3ALDH1A1MAPT
SCHEMBL6818751 0.93 ADORA1 (0.42) ADORA1ADORA2AHRH3ALDH1A1
SCHEMBL6822068 0.92 HPGD (0.43) ADORA1ADORA2AALDH1A1
SCHEMBL6822497 0.92 HPGD (0.43) ADORA1ADORA2AALDH1A1
SCHEMBL6822103 0.88 HPGD (0.40) ADORA1ADORA2AHRH3PARP1
SCHEMBL6822611 0.88 ALDH1A1 (0.47) ALDH1A1POLB
SCHEMBL6822057 0.88 ADORA1 (0.41) ADORA1TP53ABCB1SMOPOLB
SCHEMBL6822064 0.86 USP2 (0.42) ADORA1ADORA2AHRH3ALDH1A1SMO
SCHEMBL6818544 0.86 ADORA1 (0.46) ADORA1TP53POLB
SCHEMBL6818699 0.85 HSD17B10 (0.41) ADORA1ALDH1A1

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 34/4885TP53 4085/4885

“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.