SCHEMBL6818751

SCHEMBL6818751

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(C(=O)N4CCCC4)cc23)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.42
HPGD P15428 7/20 0.41
ADORA2A P29274 4/20 0.41
CCNT1 O60563 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38
MAPK1 P28482 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL6822497 0.99 HPGD (0.43) ADORA1HPGDADORA2ACCNT1CDK1
SCHEMBL6822068 0.99 HPGD (0.43) ADORA1HPGDADORA2ACCNT1CDK1
SCHEMBL6824296 0.93 ADORA1 (0.41) ADORA1ADORA2AHRH3ALDH1A1
SCHEMBL6818425 0.93 ALDH1A1 (0.46) ADORA1HPGDADORA2ACCNT1CDK1
SCHEMBL6822103 0.90 HPGD (0.40) ADORA1HPGDADORA2AHRH3
SCHEMBL6822611 0.88 ALDH1A1 (0.47) HPGDMAPK1MEN1ALDH1A1KMT2A
SCHEMBL6818544 0.88 ADORA1 (0.46) ADORA1HPGDMAPK1KMT2ASMN1; SMN2
SCHEMBL6818699 0.87 HSD17B10 (0.41) ADORA1HPGDMEN1NPC1ALDH1A1
SCHEMBL6818692 0.87 HSD17B10 (0.41) ADORA1HPGDMEN1NPC1ALDH1A1
SCHEMBL6822064 0.86 USP2 (0.42) ADORA1ADORA2AHRH3MEN1ALDH1A1

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 22/4885HPGD 684/4885ADORA2A 34/4885

“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.