SCHEMBL2995980

SCHEMBL2995980

COC(=O)c1ccc2c(c1)c(C1(C#N)CCC1)cn2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIM1 P11309 1/20 0.33
MARK3 P27448 1/20 0.33

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
SCHEMBL13248583 0.82 MTNR1B (0.45)
SCHEMBL999150 0.78 L3MBTL1 (0.48) HTR6MEN1KMT2AL3MBTL1ACHE
SCHEMBL2993524 0.77 HTR6 (0.40) HTR6NPC1RAB9AMEN1KMT2A
SCHEMBL2999358 0.76 HTR6 (0.48) HTR6JAK2JAK1NPC1RAB9A
SCHEMBL25272713 0.75 HTR6 (0.43) HTR6PKMNPC1RAB9AMEN1
SCHEMBL17442691 0.75 HTR6 (0.43) HTR6NPC1RAB9AMEN1KMT2A
SCHEMBL9904372 0.75 HTR6 (0.43) HTR6PKMNPC1RAB9AMEN1
SCHEMBL14439422 0.74 HTR6 (0.42) HTR6PKMNPC1RAB9AMEN1
SCHEMBL20337590 0.73 KMT2A (0.43) HTR6JAK2JAK1NPC1RAB9A
SCHEMBL2992026 0.71 HTR6 (0.42) HTR6PKMNPC1RAB9AMEN1

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 3 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 disclosed
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 HTR6 4219/4885JAK2 112/4885JAK1 362/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 HTR6 4219/4885JAK2 112/4885JAK1 362/4885

“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.