SCHEMBL6818374

SCHEMBL6818374

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(N4CCN(Cc5ccccc5)CC4)cc23)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
ADORA1 P30542 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KHK P50053 3/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL6822552 0.90 ADORA1 (0.40) BRD4ADORA1KHKADORA2A
SCHEMBL6822496 0.88 ADORA1 (0.42) BRD4ADORA1KHKDRD2ADORA2A
SCHEMBL6822588 0.86 ADORA1 (0.41) ADORA1ALDH1A1USP2LMNAHSD17B10
SCHEMBL6822056 0.86 KHK (0.43) ADORA1LMNAKHKDRD2
SCHEMBL6822109 0.86 ADORA1 (0.41) BRD4ADORA1ALDH1A1KDM4ELMNA
SCHEMBL6822350 0.85 ADORA1 (0.40) BRD4ADORA1USP2LMNAHSD17B10
SCHEMBL6822057 0.85 ADORA1 (0.41) ADORA1USP2HSD17B10
SCHEMBL6822080 0.85 ADORA1 (0.37) ADORA1ALDH1A1USP2HSD17B10KHK
SCHEMBL6821993 0.84 KHK (0.41) ADORA1ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL6822097 0.84 ADORA1 (0.39) BRD4ADORA1ALDH1A1KDM4ELMNA

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 BRD4 2847/4885ADORA1 22/4885ALDH1A1 564/4885

“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.