SCHEMBL6822492

SCHEMBL6822492

CCOCCN(CCOCC)C(=O)COc1ccn2nc(-c3ccccc3)c(-c3ccc(=O)n(C(C)C)n3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CMKLR1 Q99788 1/20 0.33
FABP3 P05413 1/20 0.33
FABP1 P07148 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
NR1I2 O75469 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
AGTR1 P30556 1/20 0.32
PTGIR P43119 1/20 0.32
PDE4D Q08499 1/20 0.32
PTGDR Q13258 1/20 0.32
EGFR P00533 1/20 0.32
PTGER1 P34995 1/20 0.32

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
SCHEMBL6822034 0.91 NPC1 (0.42) ADORA1NPC1RAB9ALMNACMKLR1
SCHEMBL6821916 0.88 ADORA1 (0.42) ADORA1NPC1RAB9AHPGDCMKLR1
SCHEMBL6822553 0.88 ADORA1 (0.38) ADORA1LMNAHPGDMAPT
SCHEMBL6818702 0.86 ADORA1 (0.46) ADORA1CMKLR1FABP3FABP1FABP4
SCHEMBL6822276 0.85 ADORA1 (0.46) ADORA1NPC1RAB9AHPGDCMKLR1
SCHEMBL6822058 0.85 ADORA1 (0.42) ADORA1LMNACMKLR1EGFRPTGER1
SCHEMBL6822546 0.83 ADORA1 (0.41) ADORA1CMKLR1EGFRMAPTL3MBTL1
SCHEMBL6822138 0.83 ADORA1 (0.45) ADORA1
SCHEMBL6821995 0.83 ADORA1 (0.41) ADORA1
SCHEMBL6822090 0.83 ADORA1 (0.43) ADORA1

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 22/4885NPC1 1281/4885RAB9A 1138/4885

“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.