SCHEMBL6822608

SCHEMBL6822608

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(OCc4ccccc4)cc23)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 1/20 0.41
ADORA1 P30542 1/20 0.41
SRC P12931 2/20 0.41
ABL1 P00519 1/20 0.41
MAPK14 Q16539 1/20 0.39
MCHR1 Q99705 6/20 0.39
KCNH2 Q12809 1/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
BCHE P06276 1/20 0.37
LIPC P11150 1/20 0.37
ACHE P22303 1/20 0.37
LIPE Q05469 1/20 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
SCHEMBL6818404 0.95 SRC (0.40) CMKLR1ADORA1SRCABL1MAPK14
SCHEMBL6822483 0.94 CMKLR1 (0.42) CMKLR1ADORA1SRCABL1MCHR1
SCHEMBL6821500 0.92 CMKLR1 (0.38) CMKLR1ADORA1
SCHEMBL6822100 0.91 ADORA1 (0.40) CMKLR1ADORA1MCHR1KCNH2
SCHEMBL6822058 0.90 ADORA1 (0.42) CMKLR1ADORA1SRCABL1
SCHEMBL6821534 0.89 ADORA1 (0.39) CMKLR1ADORA1MCHR1
SCHEMBL6822546 0.89 ADORA1 (0.41) CMKLR1ADORA1SRCABL1
SCHEMBL6818702 0.88 ADORA1 (0.46) CMKLR1ADORA1
SCHEMBL6824716 0.88 ADORA1 (0.40) CMKLR1ADORA1
SCHEMBL6818520 0.88 ADORA1 (0.40) CMKLR1ADORA1

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 CMKLR1 4316/4885ADORA1 22/4885SRC 1011/4885

“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.