SCHEMBL2996339

SCHEMBL2996339

CN(C)CCNC(=O)c1cnc(C(N)=O)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
AKT3 Q9Y243 1/20 0.46
CA2 P00918 2/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
CHEK2 O96017 1/20 0.43
FYN P06241 1/20 0.42
CHEK1 O14757 1/20 0.41
HTR2C P28335 1/20 0.41
USP2 O75604 1/20 0.41
SLC8A1 P32418 1/20 0.40
IKBKB O14920 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAD52 P43351 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2990439 0.92 KDM4E (0.46) MAPK1AKT3CA2ALDH1A1KDM4E
SCHEMBL2996343 0.85 MAPK1 (0.55) MAPK1AKT3CA2ALDH1A1KDM4E
SCHEMBL2990440 0.77 KDM4E (0.47) MAPK1AKT3CA2ALDH1A1KDM4E
SCHEMBL12124303 0.75 MAPK1 (0.49) MAPK1AKT3CA2ALDH1A1KDM4E
SCHEMBL2996971 0.73 USP2 (0.46) MAPK1CA2ALDH1A1KDM4EHTT
SCHEMBL9331107 0.70 ALDH1A1 (0.45) ALDH1A1KDM4ESLC8A1GAA
SCHEMBL3001292 0.70 F2 (0.41) CHEK1SMN1; SMN2
SCHEMBL24656058 0.70 CHEK2 (0.46) MAPK1AKT3CA2ALDH1A1KDM4E
SCHEMBL3969851 0.70 MAPK1 (0.70) MAPK1AKT3CA2ALDH1A1KDM4E
SCHEMBL12124400 0.70 MAPK1 (0.70) MAPK1AKT3CA2ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPK1 33/4885AKT3 578/4885CA2 2433/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPK1 33/4885AKT3 578/4885CA2 2433/4885

“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.