SCHEMBL6818673

SCHEMBL6818673

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(C(=O)NC(C)(C)c4ccccc4)cc23)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.40
ADORA1 P30542 1/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TACR3 P29371 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
TP53 P04637 1/20 0.36
RIPK1 Q13546 1/20 0.36
IMPDH2 P12268 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
IGF1R P08069 1/20 0.34
POLB P06746 1/20 0.34
PPARG P37231 2/20 0.34
MAPK8 P45983 1/20 0.34
B3GNT2 Q9NY97 1/20 0.34

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
SCHEMBL6824869 0.92 ADORA1 (0.42) ADORA1TP53RIPK1IGF1RPOLB
SCHEMBL6822494 0.87 ADORA1 (0.43) ADORA1TP53IGF1RPOLBPPARG
SCHEMBL6822105 0.87 ADORA1 (0.43) PHGDHADORA1TP53IGF1RPOLB
SCHEMBL6818544 0.85 ADORA1 (0.46) PHGDHADORA1TP53IGF1RPOLB
SCHEMBL6822202 0.84 ALDH1A1 (0.45) PHGDHADORA1ROCK2ROCK1
SCHEMBL6822354 0.84 ADORA1 (0.43) ADORA1TP53IGF1RPOLB
SCHEMBL6824733 0.83 ADORA1 (0.43) ADORA1
SCHEMBL6822341 0.83 ADORA1 (0.42) ADORA1TP53
SCHEMBL6821913 0.82 ADORA1 (0.43) ADORA1
SCHEMBL6824623 0.82 ADORA1 (0.43) ADORA1TP53IGF1RPOLB

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 PHGDH 1958/4885ADORA1 22/4885CNR1 534/4885

“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.