SCHEMBL3676031

SCHEMBL3676031

Cc1cc(NC(=O)c2cc(C)nn2C)cc(Oc2ccc([N+](=O)[O-])nc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.52
MAPT P10636 8/20 0.46
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
AURKA O14965 4/20 0.45
PDGFRB P09619 4/20 0.45
KIT P10721 4/20 0.45
FLT1 P17948 4/20 0.45
LMNA P02545 7/20 0.42
HTT P42858 4/20 0.42
BRAF P15056 2/20 0.42
MITF O75030 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
NTSR1 P30989 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL3677095 0.84 KDR (0.55) KDRMAPTMEN1KMT2AAURKA
SCHEMBL3667721 0.84 KDR (0.54) KDRAURKAPDGFRBKITFLT1
SCHEMBL3672608 0.82 KDR (0.53) KDRSMN1; SMN2AURKAPDGFRBKIT
SCHEMBL3673227 0.79 KDR (0.49) KDRMAPTMEN1KMT2AAURKA
SCHEMBL4286386 0.79 KDR (0.50) KDRMAPTMEN1KMT2AAURKA
SCHEMBL13636105 0.76 KDR (0.47) KDRMAPTSMN1; SMN2AURKAPDGFRB
SCHEMBL3808779 0.76 KDR (0.47) KDRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3671925 0.76 KDR (0.63) KDRAURKAPDGFRBKITFLT1
SCHEMBL28441474 0.73 MAPT (0.42) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL3672689 0.73 KDR (0.72) KDRAURKAPDGFRBKITFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162445-B1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-27 EP disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 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 (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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX KDR 2311/4885MAPT 4806/4885MEN1 604/4885

“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.