SCHEMBL20901012

SCHEMBL20901012

CCC(C)(C)C1CN(CC(N)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 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
SCHEMBL20053291 0.86 KDM4E (0.35) KDM4ESMN1; SMN2ALDH1A1LMNAAPEX1
SCHEMBL15298472 0.82 KDM4E (0.41) KDM4ESMN1; SMN2APEX1BLMPOLB
SCHEMBL20053362 0.79 SMN1; SMN2 (0.37) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL23100380 0.75 CHRNB2 (0.42) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL20053361 0.73 CHRNB2 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTBLM
SCHEMBL14592906 0.73 KDM4E (0.40) KDM4ESMN1; SMN2APEX1BLMPOLB
SCHEMBL19573406 0.71 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL14754887 0.71
SCHEMBL3716684 0.71 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1LMNAAPEX1
SCHEMBL22305211 0.71

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-10259818-B2 Bicyclic azaheterocyclobenzylamines as PI3K inhibitors INCYTE CORPORATION (US) 2019-04-16 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-10259818-B2 Bicyclic azaheterocyclobenzylamines as PI3K inhibitors PIK3CD, PIK3CA, PIK3CB KDM4E 727/4885SMN1; SMN2 4575/4885ALDH1A1 3352/4885

“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.