SCHEMBL1756867

SCHEMBL1756867

[NH]C(=O)c1cccn2ccnc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
NUDT1 P36639 1/20 0.38
HCRTR2 O43614 6/20 0.36
HCRTR1 O43613 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DHODH Q02127 1/20 0.36
SSTR4 P31391 1/20 0.34
PARP1 P09874 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32

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
SCHEMBL1419899 0.84 KDM4E (0.50) HTR2AHTR2CKCNH2NUDT1KDM4E
Hydrochloric Acid SCHEMBL9091092 0.82 DHODH (0.49) HTR2AHTR2CKCNH2NUDT1KDM4E
SCHEMBL9091086 0.82 HTR2A (0.46) HTR2AHTR2CKCNH2NUDT1HCRTR2
SCHEMBL1420264 0.82 MKNK1 (0.47) HTR2AHTR2CKCNH2NUDT1KDM4E
Lithium SCHEMBL31115344 0.82 DHODH (0.49) HTR2AHTR2CKCNH2NUDT1KDM4E
SCHEMBL8313115 0.82 HTR2A (0.43) HTR2AHTR2CKCNH2NUDT1HCRTR2
Hydrochloric Acid SCHEMBL30521486 0.81 MKNK1 (0.46) HTR2AHTR2CKCNH2NUDT1KDM4E
Hydrochloric Acid SCHEMBL14837018 0.81 HTR2A (0.45) HTR2AHTR2CKCNH2NUDT1HCRTR2
SCHEMBL20330342 0.78 TP53 (0.43) HTR2AHTR2CKCNH2SSTR4IRAK4
SCHEMBL1878367 0.78 KDM4E (0.49) HTR2AHCRTR2KDM4ETDP1IRAK4

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
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
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-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
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 (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 HTR2A 185/4885HTR2C 109/4885KCNH2 27/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 HTR2A 199/4885HTR2C 115/4885KCNH2 27/4885
US-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 HTR2A 491/4885HTR2C 186/4885KCNH2 2488/4885
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 HTR2A 206/4885HTR2C 117/4885KCNH2 26/4885

“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.