SCHEMBL2996321

SCHEMBL2996321

CC(=O)C(N)C1Cc2c([nH]c3ccc(C(=O)Nc4cnc5ccccc5c4)cc23)C(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MITF O75030 1/20 0.45
XBP1 P17861 1/20 0.45
PAX8 Q06710 1/20 0.45
KLF5 Q13887 1/20 0.45
TRPV1 Q8NER1 6/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDR P35968 3/20 0.43
RPS6KA3 P51812 1/20 0.42
RPS6KA2 Q15349 1/20 0.42

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
SCHEMBL3001660 0.84 MAPKAPK2 (0.71) MAPKAPK2NPC1RAB9AKDM4EMITF
SCHEMBL2996330 0.83 MAPKAPK2 (0.58) MAPKAPK2NPC1RAB9AKDM4EMITF
SCHEMBL2994985 0.76 KDR (0.52) MAPKAPK2NPC1RAB9AKDM4EMITF
SCHEMBL3001283 0.74 MAPKAPK2 (0.73) MAPKAPK2
SCHEMBL2993501 0.73 KDR (0.46) MAPKAPK2NPC1RAB9AKDM4EMITF
SCHEMBL2995014 0.67 MAPKAPK2 (1.00) MAPKAPK2RPS6KA3
SCHEMBL2999010 0.66 MAPKAPK2 (1.00) MAPKAPK2RPS6KA3
SCHEMBL3001295 0.66 MAPKAPK2 (0.70) MAPKAPK2
SCHEMBL846874 0.66 NPC1 (0.78) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL4935881 0.66 KDR (0.64) NPC1RAB9AKDM4EMITFXBP1

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 4 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
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (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 MAPKAPK2 1/4885NPC1 4214/4885RAB9A 1982/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885NPC1 4214/4885RAB9A 1982/4885

“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.