SCHEMBL1756653

SCHEMBL1756653

[NH]C(=O)n1nnc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.69
GAA P10253 10/20 0.66
MGAM O43451 9/20 0.66
AMY1A P0DUB6 9/20 0.66
SI P14410 9/20 0.66
MGAM2 Q2M2H8 9/20 0.66
KMT2A Q03164 3/20 0.66
F2 P00734 2/20 0.66
HPGD P15428 1/20 0.66
SLC9A1 P19634 1/20 0.66
KCNMA1 Q12791 1/20 0.60
F12 P00748 6/20 0.58
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MIF P14174 1/20 0.54
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL706083 0.86 MGAM (0.68) DGAT1GAAMGAMAMY1ASI
SCHEMBL4250719 0.86 GAA (0.68) DGAT1GAAMGAMAMY1ASI
SCHEMBL170673 0.84 GAA (0.71) DGAT1GAAMGAMAMY1ASI
SCHEMBL535054 0.82 GAA (0.64) DGAT1GAAMGAMAMY1ASI
SCHEMBL3840404 0.82 GAA (0.69) DGAT1GAAMGAMAMY1ASI
Hydrochloric Acid SCHEMBL10363645 0.82 GAA (0.69) DGAT1GAAMGAMAMY1ASI
SCHEMBL443991 0.82 GAA (0.64) DGAT1GAAMGAMAMY1ASI
SCHEMBL10621117 0.82 GAA (0.64) DGAT1GAAMGAMAMY1ASI
SCHEMBL427058 0.82 GAA (0.64) DGAT1GAAMGAMAMY1ASI
Ammonia Solution, Strong SCHEMBL3505685 0.82 GAA (0.69) DGAT1GAAMGAMAMY1ASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973163-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2011-07-05 US disclosed
US-7943770-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
EP-1740584-B9 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-06-09 EP disclosed
US-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 US disclosed
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-10-29 US disclosed
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 US disclosed
US-7592453-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-22 US disclosed
EP-2080760-A1 Fused quinoline derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP 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 (5 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-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 DGAT1 4736/4885GAA 4639/4885MGAM 4867/4885
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 DGAT1 4736/4885GAA 4639/4885MGAM 4867/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 DGAT1 4733/4885GAA 4645/4885MGAM 4866/4885
US-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 DGAT1 4478/4885GAA 4817/4885MGAM 4848/4885
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 DGAT1 4732/4885GAA 4641/4885MGAM 4865/4885

“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.