SCHEMBL4286269

SCHEMBL4286269

Nc1nc2cc(Oc3cccc([N+](=O)[O-])c3)ccn2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TNK2 Q07912 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
LTA4H P09960 1/20 0.41
PTGS2 P35354 1/20 0.41
TDP2 O95551 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
F10 P00742 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL4292919 0.84 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ATNK2
SCHEMBL16280446 0.79 JAK2 (0.43) ALDH1A1MAPTMEN1KMT2ATNK2
SCHEMBL23422083 0.78 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ATNK2
SCHEMBL29715554 0.78 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ATNK2
SCHEMBL4286235 0.76 TDP2 (0.53) KMT2ATDP2
SCHEMBL4203388 0.75 TSHR (0.67) ALDH1A1MAPTMEN1KMT2AABCG2
SCHEMBL30043252 0.73 TSHR (0.64) ALDH1A1MAPTMEN1KMT2AABCG2
SCHEMBL6273333 0.73 TSHR (0.64) ALDH1A1MAPTMEN1KMT2AABCG2
SCHEMBL9705499 0.72 ALDH1A1 (0.79) ALDH1A1MAPTMEN1KMT2ALTA4H
SCHEMBL9158141 0.72 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2ALTA4H

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 6 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-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 ALDH1A1 2812/4885MAPT 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.