SCHEMBL3124182

SCHEMBL3124182

O=[C]NC1=Cc2cccc3cccc1c23

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 3/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 6/20 0.41
CES2 O00748 1/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
MCL1 Q07820 1/20 0.41
S100A4 P26447 1/20 0.39
PABPC1 P11940 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
DNMT1 P26358 2/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 4/20 0.34
TSHR P16473 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TYMS P04818 4/20 0.34

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
SCHEMBL8712256 0.82 MAPK1 (0.47) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL6540748 0.79 MAPK1 (0.50) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL3406520 0.75 MEN1 (0.47) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL778669 0.74 MAPK1 (0.50) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL3406240 0.72 MAPT (0.45) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL953862 0.72 MAPK1 (0.56) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL23300524 0.71 MAPT (0.50) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL6154836 0.71 MAPK1 (0.43) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL779663 0.69 MAPK1 (0.53) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL8332159 0.69 MEN1 (0.41) MEN1KMT2AMAPK1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253633-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-20100183604-A1 PREVENTIVE/REMEDY FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-22 US disclosed
EP-2163258-A1 PREVENTIVE/REMEDY FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP disclosed
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP disclosed
US-20090233937-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-17 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 (3 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-20100183604-A1 PREVENTIVE/REMEDY FOR CANCER CFL1, LIMK1, LIMK2 MEN1 436/4885KMT2A 1729/4885MAPK1 162/4885
US-20090233937-A1 FUSED HETEROCYCLIC COMPOUND ROS1, JAK2, ERBB2 MEN1 2485/4885KMT2A 382/4885MAPK1 86/4885
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 MEN1 2063/4885KMT2A 300/4885MAPK1 162/4885

“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.