SCHEMBL4537413

SCHEMBL4537413

O=C(Nc1ccccc1N1CCCC1)c1[c]cccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 2/20 0.60
ALOX15 P16050 1/20 0.60
POLB P06746 1/20 0.58
KMT2A Q03164 5/20 0.56
NPSR1 Q6W5P4 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
MEN1 O00255 2/20 0.56
ATM Q13315 2/20 0.56
TSHR P16473 2/20 0.56
HTT P42858 2/20 0.56
USP2 O75604 1/20 0.56
GLA P06280 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CSF1R P07333 3/20 0.56
KCNQ2 O43526 1/20 0.56
PKM P14618 1/20 0.56
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL4292565 0.99 NPSR1 (0.59) GAAALDH1A1MAPTALOX15POLB
SCHEMBL4299849 0.88 CHEK1 (0.52) GAAALDH1A1MAPTALOX15
Hydrochloric Acid SCHEMBL2023240 0.77 POLB (0.76) GAAALDH1A1MAPTALOX15POLB
SCHEMBL1439619 0.76 GAA (0.63) GAAALDH1A1MAPTALOX15POLB
SCHEMBL4318899 0.76 KCNQ2 (0.68) GAAALDH1A1MAPTALOX15POLB
SCHEMBL10144751 0.74 L3MBTL1 (0.66) GAAALDH1A1MAPTALOX15POLB
SCHEMBL13167001 0.73 KMT2A (0.97) GAAALDH1A1MAPTALOX15POLB
SCHEMBL13167000 0.73 NPSR1 (0.73) GAAALDH1A1MAPTALOX15POLB
SCHEMBL7578806 0.73 CYP1A2 (0.57) ALDH1A1ALOX15KMT2AL3MBTL1MEN1
SCHEMBL1643994 0.73 NPSR1 (0.68) GAAALDH1A1MAPTPOLBKMT2A

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-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

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 GAA 1718/4885ALDH1A1 4053/4885MAPT 725/4885

“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.