SCHEMBL1757403

SCHEMBL1757403

[NH]C(=O)Nn1nnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 9/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP4F8 P98187 1/20 0.50
CYP4F12 Q9HCS2 1/20 0.50
DGAT1 O75907 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
MGAM O43451 3/20 0.46
AMY1A P0DUB6 3/20 0.46
GAA P10253 3/20 0.46
SI P14410 3/20 0.46
MGAM2 Q2M2H8 3/20 0.46
F2 P00734 1/20 0.46
HPGD P15428 1/20 0.46
SLC9A1 P19634 1/20 0.46
KMT2A Q03164 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.44

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
SCHEMBL9346882 0.83 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL2748 0.83 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL1757405 0.83 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL6388692 0.80 CYP4Z1 (0.58) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL14359614 0.80 CYP4Z1 (0.48) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL5851764 0.79 CYP4Z1 (0.57) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL4866578 0.79 CYP4Z1 (0.53) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL4865106 0.78 CYP4Z1 (0.52) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL11464650 0.76 CYP4Z1 (0.48) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL7243835 0.76 POLB (0.55) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8

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 12 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
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
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-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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 (4 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 CYP4Z1 4289/4885CYP1A2 1198/4885CYP2C8 2906/4885
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 CYP4Z1 4289/4885CYP1A2 1198/4885CYP2C8 2906/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 CYP4Z1 4264/4885CYP1A2 1194/4885CYP2C8 2936/4885
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 CYP4Z1 4283/4885CYP1A2 1257/4885CYP2C8 2998/4885

“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.