SCHEMBL12901990

SCHEMBL12901990

N#Cc1ccc(N(c2ccc3ccccc3c2)c2cc3c4ccccc4c(N(c4ccc(C#N)cc4)c4ccc5ccccc5c4)cc3c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.35
KDM1A O60341 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
TSHR P16473 1/20 0.32
PIM1 P11309 1/20 0.32
CA9 Q16790 1/20 0.32
MYB P10242 1/20 0.32
PTGER4 P35408 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL17933064 0.95 CA1 (0.38) CA1CA2MEN1NPC1RAB9A
SCHEMBL12887587 0.90 CA1 (0.35) CA1CA2MEN1NPC1RAB9A
SCHEMBL10068693 0.89 TSHR (0.40) CA1CA2ABCG2KDM1AKEAP1
SCHEMBL10068520 0.86 TSHR (0.42) CA1CA2MEN1NPC1KMT2A
SCHEMBL14328190 0.86 ABCG2 (0.35) CA1CA2MEN1NPC1RAB9A
SCHEMBL2323159 0.86 HPRT1 (0.38) CA1CA2TSHRCA9
SCHEMBL29555328 0.86 HPRT1 (0.38) CA1CA2TSHRCA9
SCHEMBL17933066 0.86 USP14 (0.32) CA1CA2MEN1NPC1RAB9A
SCHEMBL17933068 0.86 USP14 (0.32) CA1CA2MEN1NPC1RAB9A
SCHEMBL2544706 0.85 KDM4E (0.35) CA1CA2TSHR

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
US-7888863-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2011-02-15 US disclosed
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-12-03 US disclosed
US-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 US disclosed
US-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 US disclosed
US-20090260686-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 US disclosed
EP-2107095-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-07 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-20090260686-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, FZD7 CA1 3759/4885CA2 2491/4885MEN1 4430/4885
US-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, ODC1, LEF1 CA1 2205/4885CA2 1147/4885MEN1 1200/4885
US-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, ORMDL3, CHRM2 CA1 4552/4885CA2 3754/4885MEN1 2301/4885
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, LEF1, ODC1 CA1 2171/4885CA2 1374/4885MEN1 1037/4885

“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.