SCHEMBL6824716

SCHEMBL6824716

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.40
HRH3 Q9Y5N1 2/20 0.39
IGF1R P08069 1/20 0.36
MAPK1 P28482 2/20 0.35
ADORA2A P29274 4/20 0.34
FGFR1 P11362 2/20 0.34
CMKLR1 Q99788 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
GSK3B P49841 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
SCHEMBL6822546 0.92 ADORA1 (0.41) ADORA1HRH3IGF1RCMKLR1
SCHEMBL6818520 0.91 ADORA1 (0.40) ADORA1HRH3IGF1RMAPK1ADORA2A
SCHEMBL6822100 0.90 ADORA1 (0.40) ADORA1HRH3IGF1RCMKLR1GSK3B
SCHEMBL6822058 0.90 ADORA1 (0.42) ADORA1HRH3IGF1RADORA2ACMKLR1
SCHEMBL6822090 0.89 ADORA1 (0.43) ADORA1HRH3ADORA2AFGFR1
SCHEMBL6821995 0.89 ADORA1 (0.41) ADORA1HRH3ADORA2AFGFR1
SCHEMBL6821914 0.88 ADORA1 (0.41) ADORA1HRH3ADORA2AADORA3
SCHEMBL6822608 0.88 CMKLR1 (0.41) ADORA1CMKLR1
SCHEMBL6822138 0.88 ADORA1 (0.45) ADORA1HRH3ADORA2A
SCHEMBL6818702 0.87 ADORA1 (0.46) ADORA1MAPK1CMKLR1

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 22/4885HRH3 275/4885IGF1R 4150/4885

“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.