SCHEMBL3406597

SCHEMBL3406597

COc1cc(N)ccc1Oc1cccc2sncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EGFR P00533 5/20 0.37
ERBB2 P04626 5/20 0.37
LCK P06239 1/20 0.36
LYN P07948 1/20 0.36
MET P08581 1/20 0.36
SRC P12931 1/20 0.36
CSK P41240 1/20 0.36
MAP2K1 Q02750 1/20 0.36
TEK Q02763 1/20 0.36
ERBB4 Q15303 1/20 0.36
PDPK1 O15530 1/20 0.36

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
SCHEMBL3399764 0.85 EGFR (0.38) MEN1NPC1RAB9AKMT2ACYP3A4
SCHEMBL3403550 0.83 EGFR (0.48) CYP3A4EGFRERBB2LCKLYN
SCHEMBL3401793 0.83 TRPA1 (0.38) KDM4EMEN1KMT2AEGFRERBB2
SCHEMBL3406564 0.83 EGFR (0.38) GAAMAPTRAB9ATDP1EGFR
SCHEMBL291713 0.80 ALDH1A1 (0.42) GAAMAPTKDM4EMEN1NPC1
SCHEMBL3403858 0.80 CSF1R (0.37) GAAEGFRERBB2LCKLYN
SCHEMBL4799282 0.71 MAPT (0.47) GAAMAPTKDM4EPDPK1TSHR
SCHEMBL7024109 0.69 TSHR (0.57) GAAMAPTKDM4ECYP3A4TDP1
SCHEMBL3405336 0.68 EGFR (0.37) EGFRERBB2LCKLYNMET
SCHEMBL10963495 0.68 ESRRA (0.46) GAAMAPTKDM4ENPC1RAB9A

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
EP-2253633-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-24 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 (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-20090233937-A1 FUSED HETEROCYCLIC COMPOUND ROS1, JAK2, ERBB2 GAA 4388/4885MAPT 3475/4885KDM4E 1017/4885

“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.