SCHEMBL2632320

SCHEMBL2632320

N#Cc1ccc(N(C2=NC3=NC(N(c4ccccc4)c4ccc(C#N)cc4)=NC4=NC(N(c5ccccc5)c5ccc(C#N)cc5)=NC(=N2)N34)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.34
POLB P06746 1/20 0.34
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
CTSK P43235 1/20 0.33
FNTA P49354 1/20 0.33

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
SCHEMBL2632322 0.94 CYP2A6 (0.34) TSHRCYP11B2CYP11B1CYP19A1
SCHEMBL2623745 0.89 ABCG2 (0.32) TSHRABCG2CRHBPCRHR2PTGDR2
SCHEMBL2623728 0.85 L3MBTL1 (0.37) TSHRCRHBPCRHR2MAPTSMN1; SMN2
SCHEMBL2632415 0.82 KIF11 (0.49) MAOBCYP19A1
SCHEMBL2623746 0.82
SCHEMBL8849586 0.77 TSHR (0.59) TSHRABCG2CRHBPCRHR2MAOB
SCHEMBL13748038 0.77 TSHR (0.59) TSHRABCG2CRHBPCRHR2MAOB
SCHEMBL151680 0.77 TSHR (0.59) TSHRABCG2CRHBPCRHR2MAOB
SCHEMBL13748419 0.77 TSHR (0.59) TSHRABCG2CRHBPCRHR2MAOB
SCHEMBL13748820 0.77 TSHR (0.59) TSHRABCG2CRHBPCRHR2MAOB

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-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AT) 2012-04-19 US disclosed
WO-2010132953-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-11-25 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-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE HSD17B2, CYP1A2, HSD17B1 TSHR 4789/4885ABCG2 3102/4885CRHBP 2730/4885

“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.