SCHEMBL23944789

SCHEMBL23944789

CN1CCn2c(c(C(C)(C)C)c3ccccc32)C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.36
KDM4E B2RXH2 7/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
SMARCA4 P51532 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
GPR3 P46089 1/20 0.32
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL14996502 0.80 PDE4A (0.44) PDE4AKDM4EALDH1A1MAPTKMT2A
SCHEMBL19960975 0.79 PABPC1 (0.45) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL16201628 0.77 PDE4A (0.36) PDE4AKDM4EALDH1A1MAPTRECQL
SCHEMBL19960979 0.68 HTR2A (0.38) KDM4EMAPTRECQLSMARCA4
SCHEMBL803455 0.68 PDE4A (0.41) PDE4AKDM4EALDH1A1MAPTKMT2A
SCHEMBL14994233 0.68 HDAC1 (0.41) KDM4EALDH1A1
SCHEMBL14994227 0.68 HDAC6 (0.48)
SCHEMBL19960987 0.66 HTR2A (0.42) KDM4EMAPTRECQL
SCHEMBL9382916 0.65 SIGMAR1 (0.47) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL820350 0.65 ALDH1A1 (0.54) KDM4EALDH1A1MAPTKMT2AMEN1

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-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 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-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 PDE4A 3288/4885KDM4E 3455/4885ALDH1A1 4132/4885

“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.