SCHEMBL12640488

SCHEMBL12640488

N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(N(c3cccc(C#N)c3)c3ccc4ccc5c(N(c6cccc(C#N)c6)c6cc(-c7ccc(C#N)cc7)cc(-c7ccc(C#N)cc7)c6)ccc6ccc3c4c65)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.34
HRH3 Q9Y5N1 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MARK3 P27448 1/20 0.31
GSK3A P49840 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
ENPP2 Q13822 1/20 0.31
SCN9A Q15858 1/20 0.30
MMP3 P08254 1/20 0.30
AR P10275 1/20 0.30
MYC P01106 1/20 0.30

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
SCHEMBL12640564 0.96 MYC (0.35) PGRMEN1ALDH1A1MAPTKMT2A
SCHEMBL12640421 0.93 ALDH1A1 (0.36) PGRMEN1ALDH1A1MAPTKMT2A
SCHEMBL12640508 0.92 GABRG2 (0.36) PGRMEN1ALDH1A1MAPTKMT2A
SCHEMBL12640535 0.92 F9 (0.34) PGRMEN1ALDH1A1MAPTKMT2A
SCHEMBL12640474 0.90 MYC (0.36) PGRHRH3CA1CA2SCN9A
SCHEMBL12640427 0.90 PTGDR2 (0.33) PGRHRH3CYP11B1CYP11B2AR
SCHEMBL12640469 0.89 MYC (0.38) PGRHRH3CA1CA2CYP11B2
SCHEMBL12640433 0.89 ABCG2 (0.36) PGRMEN1ALDH1A1MAPTKMT2A
SCHEMBL12640613 0.89 MEN1 (0.35) PGRMEN1ALDH1A1MAPTKMT2A
SCHEMBL12575883 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126892-B2 Blue fluorescence compound and organic electroluminescence device using the same LG DISPLAY CO., LTD. (KR) 2015-09-08 US disclosed
US-20110156011-A1 BLUE FLUORESCENCE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2011-06-30 US 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-20110156011-A1 BLUE FLUORESCENCE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME KCNN2, ORAI2, ETV6 PGR 3326/4885HRH3 4011/4885MEN1 1622/4885

“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.