SCHEMBL6822104

SCHEMBL6822104

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(OCC(=O)NC4CCCCCC4)cc23)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
ADORA1 P30542 1/20 0.40
PIN1 Q13526 2/20 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
SCHEMBL6818603 1.00 SMN1; SMN2 (0.42) SMN1; SMN2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL6821915 0.99 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL6822509 0.96 HPGD (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL6822277 0.93 HTT (0.40) SMN1; SMN2ALDH1A1HTTLMNAADORA1
SCHEMBL6821408 0.88 KMT2A (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL6822503 0.86 ADORA1 (0.41) SMN1; SMN2ALDH1A1LMNAADORA1
SCHEMBL6821896 0.86 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL6818702 0.85 ADORA1 (0.46) HTTADORA1
SCHEMBL6821443 0.85 LMNA (0.43) ALDH1A1KMT2AMEN1LMNAADORA1
SCHEMBL6822276 0.85 ADORA1 (0.46) ALDH1A1KMT2AADORA1

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 SMN1; SMN2 274/4885CYP1A2 373/4885CYP3A4 494/4885

“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.