SCHEMBL4292571

SCHEMBL4292571

O=C(c1cc[c]cc1)N(c1ccccc1)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.36
OPRD1 P41143 1/20 0.36
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.34
GFER P55789 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 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
SCHEMBL4537418 0.98 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2HPGDHTT
SCHEMBL4299855 0.86 SIGMAR1 (0.42) ALDH1A1POLBOPRD1USP2CHRM2
SCHEMBL4292570 0.78 ALDH1A1 (0.38) ALDH1A1POLBSMN1; SMN2HPGDHTT
SCHEMBL4142245 0.77 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2HPGDHTT
SCHEMBL4537415 0.77 ALDH1A1 (0.36) ALDH1A1POLBSMN1; SMN2HPGDOPRD1
SCHEMBL8544469 0.76 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2HPGDHTT
SCHEMBL18428973 0.74 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2HPGDHTT
SCHEMBL3964785 0.74 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2HPGDHTT
SCHEMBL379431 0.74 SIGMAR1 (0.51) ALDH1A1POLBSMN1; SMN2OPRD1USP2
SCHEMBL28026626 0.73 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 US claimed
EP-2081933-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS Novartis Ag (CH) 2009-07-29 EP claimed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 WO claimed
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 US disclosed
EP-2081933-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS Novartis Ag (CH) 2009-07-29 EP disclosed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 WO 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-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS ATR, ATM, CHEK1 ALDH1A1 4053/4885POLB 780/4885SMN1; SMN2 2315/4885

“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.