SCHEMBL29699265

SCHEMBL29699265

COc1ccc2c(C)c(CCN)c(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.60
ALDH1A1 P00352 7/20 0.60
HPGD P15428 5/20 0.60
HSD17B10 Q99714 4/20 0.60
GAA P10253 2/20 0.60
TP53 P04637 1/20 0.58
NQO1 P15559 1/20 0.58
MAPT P10636 5/20 0.57
THRB P10828 1/20 0.57
STS P08842 1/20 0.57
SRC P12931 1/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.55
STAT1 P42224 1/20 0.55
ACHE P22303 1/20 0.53
MAOB P27338 1/20 0.53
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL18766190 1.00 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8745753 0.86 NQO1 (0.61) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL24627780 0.83 MAPT (0.72) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL7141692 0.82 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL29944843 0.82 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8745770 0.81 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL237672 0.81 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL22733326 0.81 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL15917454 0.79 ALDH1A1 (0.74) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL24983252 0.79 MAPT (0.62) KDM4EALDH1A1HPGDHSD17B10GAA

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-20220169653-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES GALAPAGOS NV (BE) 2022-06-02 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-20220169653-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES IRAK1, PEAK1, MARK1 KDM4E 1494/4885ALDH1A1 717/4885HPGD 872/4885

“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.