SCHEMBL731061

SCHEMBL731061

CCCn1nc(C(=O)OCC)c(Br)c1CC(C)(C)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
POLB P06746 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ELANE P08246 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL19615364 0.73 NPC1 (0.36) ALDH1A1MAPTSMN1; SMN2MAPK1PDE4A
SCHEMBL19615264 0.72 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2MAPK1PDE4A
SCHEMBL731191 0.71 CNR1 (0.43) MAPTPOLBADORA3CNR1CNR2
SCHEMBL19615850 0.71 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2MAPK1PDE4A
SCHEMBL1233910 0.70 CTSK (0.32)
SCHEMBL1740722 0.69 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2MAPK1PDE4A
SCHEMBL19615376 0.69 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2POLBRXFP1KDM4E
SCHEMBL19615387 0.69 SMN1; SMN2 (0.40) ALDH1A1MAPTSMN1; SMN2MAPK1PDE4A
SCHEMBL4158664 0.68 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2MAPK1POLB
SCHEMBL24687912 0.68 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2MAPK1ELANE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 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-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods IL4, IL2, IL5 ALDH1A1 1384/4885MAPT 4124/4885SMN1; SMN2 4464/4885

“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.