SCHEMBL5425955

SCHEMBL5425955

Cc1cn(C(=O)O)c2c(N3CCOCC3)nccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.42
PIK3CA P42336 3/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 2/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
ATR Q13535 2/20 0.38
LMNA P02545 1/20 0.38
ATRIP Q8WXE1 1/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL5425953 0.70 LRRK2 (0.45) LRRK2PIK3CAALDH1A1KDM4EHPGD
SCHEMBL27492558 0.67 ATR (0.41) LRRK2PIK3CAALDH1A1KDM4EAURKA
SCHEMBL21384371 0.66 TP53 (0.47) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21921211 0.66 LRRK2 (0.52) LRRK2ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL12179269 0.66 LRRK2 (0.52) LRRK2ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL3436634 0.66 CYP1A2 (0.56) LRRK2PIK3CAALDH1A1MAPK1CYP1A2
SCHEMBL4424393 0.65 AURKA (0.52) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL5466087 0.65 POLB (0.52) LRRK2PIK3CAALDH1A1KDM4EMAPK1
SCHEMBL30855570 0.65 POLB (0.52) LRRK2PIK3CAALDH1A1KDM4EMAPK1
SCHEMBL27366311 0.65 TP53 (0.39) LRRK2PIK3CAALDH1A1KDM4EHSD17B10

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-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 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-20070219229-A1 Pyrrolopyridine Derivatives CNR2, CNR1, TRPV1 LRRK2 2128/4885PIK3CA 531/4885ALDH1A1 3093/4885

“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.