SCHEMBL6822202

SCHEMBL6822202

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(C(=O)N[C@@H](C)c4ccccc4)cc23)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PHGDH O43175 6/20 0.45
ADORA1 P30542 1/20 0.41
ROCK2 O75116 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RPS6KA5 O75582 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
CSF1R P07333 1/20 0.39
PRKACA P17612 1/20 0.39
FLT1 P17948 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK1 P28482 1/20 0.39
AKT1 P31749 1/20 0.39
FLT4 P35916 1/20 0.39

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
SCHEMBL6822105 0.92 ADORA1 (0.43) ALDH1A1PHGDHADORA1MAPK1
SCHEMBL6822494 0.89 ADORA1 (0.43) ALDH1A1ADORA1MAPK1AKT1KDR
SCHEMBL6818544 0.87 ADORA1 (0.46) PHGDHADORA1KMT2AMAPK1
SCHEMBL6824869 0.86 ADORA1 (0.42) ALDH1A1ADORA1MAPK1
SCHEMBL6822354 0.85 ADORA1 (0.43) ADORA1MEN1KMT2AMAPK1
SCHEMBL6824733 0.85 ADORA1 (0.43) ADORA1MEN1KMT2A
SCHEMBL6822341 0.85 ADORA1 (0.42) ALDH1A1ADORA1
SCHEMBL6818673 0.84 PHGDH (0.40) PHGDHADORA1ROCK2ROCK1
SCHEMBL6821913 0.83 ADORA1 (0.43) ALDH1A1ADORA1MEN1KMT2A
SCHEMBL6824623 0.83 ADORA1 (0.43) ALDH1A1ADORA1MEN1KMT2AMAPK1

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 ALDH1A1 564/4885PHGDH 1958/4885ADORA1 22/4885

“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.