SCHEMBL6822611

SCHEMBL6822611

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
SLC6A7 Q99884 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.45
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42

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 0.88 ALDH1A1 (0.46) ALDH1A1KMT2APOLBHPGDKDM4E
SCHEMBL6824296 0.88 ADORA1 (0.41) ALDH1A1POLB
SCHEMBL6818751 0.88 ADORA1 (0.42) ALDH1A1MAPK1KMT2AMEN1HPGD
SCHEMBL6821993 0.87 KHK (0.41) ALDH1A1MAPK1SLC6A7L3MBTL1KMT2A
SCHEMBL6822068 0.87 HPGD (0.43) ALDH1A1MAPK1KMT2AMEN1HPGD
SCHEMBL6822497 0.87 HPGD (0.43) ALDH1A1MAPK1KMT2AMEN1HPGD
SCHEMBL6822064 0.85 USP2 (0.42) ALDH1A1SLC6A7KMT2AMEN1POLB
SCHEMBL6822103 0.83 HPGD (0.40) HPGD
SCHEMBL6818544 0.81 ADORA1 (0.46) MAPK1KMT2APOLBHPGD
SCHEMBL6818699 0.81 HSD17B10 (0.41) ALDH1A1KMT2AMEN1HPGDKDM4E

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 ALDH1A1 564/4885MAPK1 1491/4885SLC6A7 734/4885

“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.