SCHEMBL440424

SCHEMBL440424

c1ccc(N(c2ccccc2)c2cccc(-c3ccnc4c3ccc3c(-c5cccc(N(c6ccccc6)c6ccccc6)c5)ccnc34)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.41
NR1H3 Q13133 6/20 0.41
TOP2A P11388 3/20 0.39
PIK3CD O00329 1/20 0.38
ALK Q9UM73 2/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
FGFR1 P11362 1/20 0.37
PRKACA P17612 1/20 0.37
FLT1 P17948 1/20 0.37
LTK P29376 1/20 0.37
GRK5 P34947 1/20 0.37

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
SCHEMBL439485 0.85 TOP2A (0.41) NR1H2NR1H3TOP2AALKIKBKB
SCHEMBL24514813 0.83 IKBKB (0.47) NR1H2NR1H3TOP2APIK3CDALK
SCHEMBL17125578 0.82 PIK3CA (0.49) NR1H2NR1H3TOP2APIK3CDALK
SCHEMBL13658706 0.79 ALDH1A1 (0.40)
SCHEMBL28868 0.79 IKBKB (0.53) TOP2AALKIKBKBCHUKDAPK3
Benzene SCHEMBL28095234 0.79 IKBKB (0.53) TOP2AALKIKBKBCHUKDAPK3
SCHEMBL28859500 0.79 IKBKB (0.53) TOP2AALKIKBKBCHUKDAPK3
SCHEMBL17125560 0.79 PIK3CA (0.54) NR1H2NR1H3TOP2APIK3CDALK
SCHEMBL21137836 0.78 BRD4 (0.42) NR1H2NR1H3PIK3CDCKS1BGLO1
SCHEMBL9448814 0.77 IKBKB (0.52) TOP2AALKIKBKBCHUKDAPK3

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
US-8436341-B2 Electronic device including phenanthroline derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-07 US disclosed
US-8436341-B2 Electronic device including phenanthroline derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-07 US disclosed
US-8309731-B2 Electronic device including phenanthroline derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2012-11-13 US disclosed
US-8309731-B2 Electronic device including phenanthroline derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2012-11-13 US disclosed
US-20120065402-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-20120065402-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-20100207108-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-19 US disclosed
US-20100207108-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-19 US disclosed
WO-2010075379-A2 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-01 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 (2 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-20120065402-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE PAH, AHR, TYR NR1H2 2979/4885NR1H3 2832/4885TOP2A 1184/4885
US-20100207108-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE PAH, AHR, TYR NR1H2 3046/4885NR1H3 2904/4885TOP2A 1262/4885

“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.