SCHEMBL2301070

SCHEMBL2301070

O=[N+]([O-])c1cnccc1Nc1cc(-c2cc(C(F)(F)F)ccc2F)nc2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.41
TRPV1 Q8NER1 4/20 0.41
MAPK3 P27361 1/20 0.39
NFKBIA P25963 1/20 0.39
RELA Q04206 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
EPAS1 Q99814 1/20 0.37
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.36
MPL P40238 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL14227414 0.89 ALDH1A1 (0.45) ALDH1A1HTTRAB9AMAPT
SCHEMBL2299720 0.83 TRPV1 (0.42) TRPV1MAPK3MPL
SCHEMBL2298429 0.81 TRPV1 (0.52) TRPV1MAPK3MPL
SCHEMBL2300323 0.80 MPL (0.49) TRPV1MAPK3SCN9AMPL
SCHEMBL12424755 0.78 KDM4E (0.41) ALDH1A1HTTMAPTTRPV1MAPK3
SCHEMBL12424763 0.78 TRPV1 (0.45) TRPV1MAPK3SLC40A1SCN9AMPL
SCHEMBL2301082 0.78 ALDH1A1 (0.42) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL1818311 0.76 ALDH1A1 (0.48) ALDH1A1HTTRAB9AMAPTMAPK1
SCHEMBL12425347 0.74 TRPV1 (0.42) TRPV1MAPK3SCN9AMPL
SCHEMBL14877111 0.73 IKBKE (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
EP-2539336-A2 HETARYLAMINONAPHTHYRIDINES Merck Patent GmbH (DE) 2013-01-02 EP disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 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-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D ALDH1A1 2804/4885HTT 659/4885RAB9A 755/4885

“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.