SCHEMBL6818708

SCHEMBL6818708

CC(C)n1nc(-c2c(-c3ccccc3)nn3cc(OCC(=O)O)ccc23)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.45
CMKLR1 Q99788 1/20 0.40
FABP4 P15090 3/20 0.38
FABP3 P05413 2/20 0.38
FABP1 P07148 1/20 0.38
FABP5 Q01469 1/20 0.38
HTT P42858 1/20 0.37
ACACA Q13085 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MIF P14174 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MAPK1 P28482 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
SCHEMBL6822146 0.91 ADORA1 (0.41) ADORA1CMKLR1HRH3
SCHEMBL6822021 0.90 KDM4E (0.42) ADORA1CMKLR1MEN1KMT2A
SCHEMBL6818718 0.90 HTT (0.42) ADORA1HTTMEN1KMT2A
SCHEMBL6822155 0.89 LMNA (0.46) ADORA1HTTMEN1KMT2AMAPK1
SCHEMBL6822093 0.89 SMN1; SMN2 (0.41) ADORA1MAPK1
SCHEMBL6822527 0.87 POLB (0.45) ADORA1HTTMEN1KMT2AMAPK1
SCHEMBL6825199 0.86 CASR (0.41) ADORA1HRH3
SCHEMBL6818702 0.86 ADORA1 (0.46) ADORA1CMKLR1FABP4FABP3FABP1
SCHEMBL6821408 0.86 KMT2A (0.43) ADORA1MEN1KMT2A
SCHEMBL6822101 0.85 ADORA1 (0.42) ADORA1HRH3

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 22/4885CMKLR1 4316/4885FABP4 4837/4885

“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.