SCHEMBL6822277

SCHEMBL6822277

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(OCC(=O)NC4CCC(O)CC4)cc23)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
ADORA1 P30542 1/20 0.39
GRIN2B Q13224 3/20 0.36
GRIN1 Q05586 2/20 0.36
ROCK2 O75116 1/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 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
SCHEMBL6822509 0.97 HPGD (0.43) HTTHPGDRAB9AADORA1GRIN2B
SCHEMBL6821915 0.94 SMN1; SMN2 (0.41) HTTHPGDRAB9AADORA1LMNA
SCHEMBL6818603 0.93 SMN1; SMN2 (0.42) HTTADORA1LMNASMN1; SMN2ALDH1A1
SCHEMBL6822104 0.93 SMN1; SMN2 (0.42) HTTADORA1LMNASMN1; SMN2ALDH1A1
SCHEMBL6821896 0.85 SMN1; SMN2 (0.43) HTTHPGDRAB9AADORA1LMNA
SCHEMBL6822503 0.85 ADORA1 (0.41) HPGDADORA1LMNASMN1; SMN2ALDH1A1
SCHEMBL6818702 0.85 ADORA1 (0.46) HTTADORA1MAPK1
SCHEMBL6821443 0.84 LMNA (0.43) ADORA1LMNAALDH1A1
SCHEMBL6822276 0.84 ADORA1 (0.46) HPGDRAB9AADORA1MAPK1USP2
SCHEMBL6818732 0.83 CYP1A2 (0.42) HPGDRAB9AADORA1MAPK1ALDH1A1

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 HTT 231/4885HPGD 684/4885RAB9A 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.