SCHEMBL6821993

SCHEMBL6821993

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(N4CCN(c5ccccn5)CC4)cc23)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.41
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 3/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
ADORA1 P30542 1/20 0.36
OGA O60502 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL6822552 0.90 ADORA1 (0.40) KHKKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL6822496 0.88 ADORA1 (0.42) KHKMAPTHTTADORA1
SCHEMBL6822611 0.87 ALDH1A1 (0.47) KMT2AKDM4EHPGDLMNATSHR
SCHEMBL6822588 0.86 ADORA1 (0.41) KHKKMT2AHSD17B10LMNATSHR
SCHEMBL6822109 0.86 ADORA1 (0.41) KDM4ELMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL6822056 0.86 KHK (0.43) KHKKMT2ALMNAMAPTMEN1
SCHEMBL6822057 0.85 ADORA1 (0.41) HSD17B10TP53SMN1; SMN2ADORA1MAPK1
SCHEMBL6822080 0.85 ADORA1 (0.37) KHKKMT2AHPGDHSD17B10MAPT
SCHEMBL6818374 0.84 BRD4 (0.39) KHKKDM4EHSD17B10LMNATSHR
SCHEMBL6822097 0.84 ADORA1 (0.39) KMT2AKDM4ENPSR1LMNAMAPT

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 KHK 1049/4885KMT2A 3405/4885KDM4E 3764/4885

“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.