SCHEMBL13698705

SCHEMBL13698705

CCOc1ccnc2c1cc(C)n2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
BRD4 O60885 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DYRK1A Q13627 1/20 0.40
NOTUM Q6P988 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3199120 0.88 BRD4 (0.50) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL3208246 0.86 MEN1 (0.54) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4212820 0.85 PTGDR2 (0.50) MEN1KMT2ATSHRPTGDR2NOTUM
SCHEMBL3196198 0.80 PTGDR2 (0.48) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL29122683 0.72 KDM4E (0.68) KDM4EALDH1A1MEN1KMT2APTGDR2
SCHEMBL23269119 0.70 KDM4E (0.54) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL3186354 0.69 MAPK1 (0.51) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL13698707 0.69 PLA2G2A (0.58) MEN1KMT2AMAPTPOLB
SCHEMBL22270343 0.68 MAPT (0.51) KDM4EALDH1A1KMT2AMAPTPTGDR2
SCHEMBL3199231 0.68 MAPK1 (0.56) KDM4EALDH1A1MEN1KMT2AMAPT

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-20090239896-A1 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. 2009-09-24 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-20090239896-A1 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G5, PLA2G4A, PLA2G3 KDM4E 1533/4885ALDH1A1 2274/4885MEN1 1254/4885

“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.