SCHEMBL2996306

SCHEMBL2996306

CC(C)(C)OC(=O)NC(=O)C1Cc2c([nH]c3ccc(C(=O)Nc4cccnc4)cc23)CN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.52
MAPKAPK2 P49137 4/20 0.51
MAPK1 P28482 1/20 0.49
MAP2K1 Q02750 1/20 0.49
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 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
SCHEMBL3087739 0.77 RPS6KA3 (0.52) NAMPTMAPKAPK2
SCHEMBL2996302 0.75 MAPKAPK2 (0.75) NAMPTMAPKAPK2MAPK1MAP2K1
Phosphoric Acid SCHEMBL6965225 0.69 MAPKAPK2 (0.56) MAPKAPK2MAPK1MAP2K1NPC1RAB9A
Phosphoric Acid SCHEMBL6965241 0.68 MAPKAPK2 (0.53) MAPKAPK2MAPK1MAP2K1NPC1RAB9A
SCHEMBL3001121 0.68 MAPKAPK2 (0.61) NAMPTMAPKAPK2MAPK1MAP2K1NPC1
SCHEMBL2999010 0.68 MAPKAPK2 (1.00) NAMPTMAPKAPK2MAPK1MAP2K1
SCHEMBL8591674 0.68 MAPKAPK2 (0.55) NAMPTMAPKAPK2MAPK1MAP2K1NPC1
SCHEMBL2998184 0.68 MAPKAPK2 (1.00) MAPKAPK2MAPK1MAP2K1LMNAALDH1A1
SCHEMBL2998498 0.68 MAPKAPK2 (0.75) NAMPTMAPKAPK2MAPK1MAP2K1NPC1
SCHEMBL2990814 0.68 MAPKAPK2 (0.60) NAMPTMAPKAPK2MAPK1MAP2K1NPC1

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 NAMPT 597/4885MAPKAPK2 1/4885MAPK1 33/4885

“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.