SCHEMBL4299849

SCHEMBL4299849

O=C(Nc1ccccc1N1CCNCC1)c1[c]cccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.52
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
PLA2G1B P04054 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47

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
SCHEMBL4537413 0.88 GAA (0.60) ALDH1A1GAAMAPTALOX15
SCHEMBL4292565 0.87 NPSR1 (0.59) ALDH1A1GAAMAPTALOX15SMN1; SMN2
SCHEMBL5563711 0.80 SMN1; SMN2 (0.72) CHEK1ALDH1A1GAAMAPTPLA2G1B
SCHEMBL1646808 0.78 CHEK1 (0.55) CHEK1
SCHEMBL7537046 0.76 CHEK1 (0.54) CHEK1MAPT
SCHEMBL1646812 0.74 NPSR1 (0.51) CHEK1GAAMAPT
SCHEMBL5343204 0.73 CHEK1 (0.59) CHEK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5558994 0.73 POLB (0.66) CHEK1ALDH1A1GAAMAPT
SCHEMBL7833448 0.73 CHEK1 (0.50) CHEK1GAASMN1; SMN2
SCHEMBL14356002 0.73 CHEK1 (0.54) CHEK1GAAMAPT

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 4 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
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 CHEK1 3/4885ALDH1A1 4053/4885GAA 1718/4885

“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.