SCHEMBL2623745

SCHEMBL2623745

[C-]#[N+]c1ccc(N(C2=NC3=NC(N(c4ccccc4)c4ccc(C#N)cc4)=NC4=NC(N(c5ccccc5)c5ccc(C#N)cc5)=NC(=N2)N43)c2ccccc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL2623746 0.95
SCHEMBL2632320 0.89 TSHR (0.39) ABCG2MEN1NPC1KMT2ATSHR
SCHEMBL2632322 0.84 CYP2A6 (0.34) TSHR
SCHEMBL13720708 0.82 TSHR (0.43) ABCG2MEN1NPC1KMT2ATSHR
SCHEMBL2623748 0.81 RORC (0.37)
SCHEMBL12533827 0.76 ALDH1A1 (0.42) MEN1NPC1KMT2ATSHRCRHBP
SCHEMBL10038768 0.76 ALDH1A1 (0.42) MEN1NPC1KMT2ATSHRCRHBP
SCHEMBL13037674 0.76 CYP2A6 (0.38) MEN1NPC1KMT2ATSHR
SCHEMBL2623728 0.76 L3MBTL1 (0.37) MEN1KMT2ATSHRCRHBPCRHR2
SCHEMBL10038680 0.74 ABCG2 (0.33) ABCG2MEN1NPC1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AT) 2012-04-19 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-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE HSD17B2, CYP1A2, HSD17B1 ABCG2 3102/4885MEN1 3492/4885NPC1 3789/4885

“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.