SCHEMBL6818702

SCHEMBL6818702

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.46
FABP4 P15090 8/20 0.41
FABP3 P05413 4/20 0.41
FABP5 Q01469 3/20 0.41
FABP1 P07148 1/20 0.41
CMKLR1 Q99788 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.36
PTPN7 P35236 1/20 0.36
ACSS2 Q9NR19 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
SCHEMBL6822276 0.94 ADORA1 (0.46) ADORA1FABP4FABP3FABP5FABP1
SCHEMBL6821916 0.91 ADORA1 (0.42) ADORA1FABP4FABP3FABP5FABP1
SCHEMBL6822503 0.90 ADORA1 (0.41) ADORA1
SCHEMBL6821896 0.90 SMN1; SMN2 (0.43) ADORA1HTT
SCHEMBL6822034 0.90 NPC1 (0.42) ADORA1FABP4FABP3FABP5FABP1
SCHEMBL6822058 0.90 ADORA1 (0.42) ADORA1CMKLR1
SCHEMBL6821443 0.89 LMNA (0.43) ADORA1CMKLR1
SCHEMBL6818735 0.88 ALDH1A1 (0.42) ADORA1HTT
SCHEMBL6818748 0.88 ADORA1 (0.40) ADORA1MAPK1HTT
SCHEMBL6822546 0.88 ADORA1 (0.41) ADORA1CMKLR1

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 22/4885FABP4 4837/4885FABP3 1945/4885

“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.