SCHEMBL12876298

SCHEMBL12876298

CCOC(=O)c1cnn(Cc2nc(-c3cc(C)cc(C#Cc4cccnc4C)c3)cs2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
MAPT P10636 6/20 0.35
GRM5 P41594 4/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
GAA P10253 3/20 0.35
AKT1 P31749 1/20 0.35
CNKSR1 Q969H4 1/20 0.35
GRM2 Q14416 1/20 0.35
JMJD6 Q6NYC1 2/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
MAOB P27338 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL2854725 0.91 GRM5 (0.39) MAPK1MAPTGRM5L3MBTL1GAA
SCHEMBL12876124 0.88 GRM5 (0.47) MAPK1MAPTGRM5L3MBTL1GAA
SCHEMBL12876290 0.85 MAPK1 (0.38) MAPK1MAPTGRM5L3MBTL1GAA
SCHEMBL12876288 0.85 MAPK1 (0.37) MAPK1MAPTGRM5L3MBTL1GAA
SCHEMBL12876280 0.84 GRM2 (0.36) MAPK1MAPTGRM5L3MBTL1GAA
SCHEMBL12876283 0.83 GRM2 (0.38) MAPK1MAPTL3MBTL1GAAAKT1
SCHEMBL12875915 0.83 MAPK1 (0.44) MAPK1MAPTGRM5L3MBTL1GAA
SCHEMBL27806577 0.81 ALK (0.37) L3MBTL1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL12875680 0.79 L3MBTL1 (0.44) MAPK1MAPTL3MBTL1GAAAKT1
SCHEMBL12876118 0.79 GRM2 (0.40) MAPK1MAPTL3MBTL1GAAAKT1

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A MAPK1 255/4885MAPT 4667/4885GRM5 788/4885

“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.