SCHEMBL6822100

SCHEMBL6822100

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(OCCc4ccccc4)cc23)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.40
GSK3B P49841 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PPARG P37231 1/20 0.36
CMKLR1 Q99788 1/20 0.35
MAOB P27338 4/20 0.34
MAOA P21397 3/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
IGF1R P08069 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL6822608 0.91 CMKLR1 (0.41) ADORA1CMKLR1KCNH2MCHR1
SCHEMBL6822546 0.91 ADORA1 (0.41) ADORA1HRH3CMKLR1MEN1KMT2A
SCHEMBL6818520 0.90 ADORA1 (0.40) ADORA1HRH3CMKLR1MEN1KMT2A
SCHEMBL6824716 0.90 ADORA1 (0.40) ADORA1GSK3BHRH3CMKLR1IGF1R
SCHEMBL6822058 0.89 ADORA1 (0.42) ADORA1HRH3CMKLR1IGF1R
SCHEMBL6822090 0.88 ADORA1 (0.43) ADORA1HRH3KCNH2MCHR1
SCHEMBL6821995 0.88 ADORA1 (0.41) ADORA1HRH3
SCHEMBL6821914 0.88 ADORA1 (0.41) ADORA1HRH3KCNH2MCHR1
SCHEMBL6822138 0.87 ADORA1 (0.45) ADORA1HRH3KCNH2MCHR1
SCHEMBL6818702 0.86 ADORA1 (0.46) 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 22/4885GSK3B 779/4885HRH3 275/4885

“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.