SCHEMBL14755201

SCHEMBL14755201

C[C@H]1CCC[C@H](C(N)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
CYP2D6 P10635 1/20 0.42
EPHX1 P07099 2/20 0.41
AAK1 Q2M2I8 1/20 0.41
NOS2 P35228 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
BCHE P06276 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL600016 1.00 KDM4E (0.42) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL15542255 1.00 KDM4E (0.42) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL18583477 1.00 KDM4E (0.42) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL6128483 1.00 KDM4E (0.42) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL18787204 1.00 KDM4E (0.42) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL24313644 0.86
SCHEMBL4194222 0.86
SCHEMBL3118447 0.86
SCHEMBL19228276 0.84 EPHX1 (0.46) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL15139869 0.83 KMT2A (0.50) KDM4EMAPTKMT2AATMCYP2D6

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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 KDM4E 718/4885MAPT 3736/4885KMT2A 1627/4885

“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.