SCHEMBL2844203

SCHEMBL2844203

NCc1nc(-c2ccccc2F)c(Sc2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
ADORA2A P29274 2/20 0.38
MPL P40238 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
UBE2T Q9NPD8 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ADORA1 P30542 1/20 0.34
FBP1 P09467 1/20 0.34
MAP4K1 Q92918 2/20 0.33
TGFBR1 P36897 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
DCUN1D1 Q96GG9 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
SCHEMBL3651908 0.83 MAPT (0.35) DPP4ADORA2AMPLALDH1A1NPC1
SCHEMBL1357873 0.81 UBE2T (0.40) DPP4ADORA2AALDH1A1GAAMAPT
SCHEMBL4129352 0.80 MAPT (0.35) ADORA2AALDH1A1NPC1GAAMAPT
SCHEMBL4125425 0.78 ALDH1A1 (0.36) ADORA2AALDH1A1NPC1GAAMAPT
SCHEMBL3654417 0.76 MEN1 (0.33) ALDH1A1NPC1GAAMAPTRAB9A
SCHEMBL3650619 0.74 ALDH1A1 (0.32) ALDH1A1NPC1GAAMAPTRAB9A
SCHEMBL3650614 0.74 CTSA (0.34) ALDH1A1MAPTSMN1; SMN2
SCHEMBL3651906 0.73 MAPT (0.35) ADORA2AMPLALDH1A1MAPTKDM4E
SCHEMBL4106417 0.61 ADAMTS5 (0.41) ALDH1A1MAPTL3MBTL1KDM4EFBP1
SCHEMBL20416871 0.60 TGFBR1 (0.54) DPP4ADORA2AMPLALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162798-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
EP-2196459-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-02 EP disclosed
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US disclosed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-2196459-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-16 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 DPP4 784/4885ADORA2A 3619/4885MPL 3898/4885
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R DPP4 1829/4885ADORA2A 2925/4885MPL 4227/4885

“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.