SCHEMBL2893480

SCHEMBL2893480

C#Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.36
KCNA3 P22001 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TSHR P16473 2/20 0.36
NR1I2 O75469 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TBXA2R P21731 2/20 0.36
CCKBR P32239 2/20 0.36
OPRK1 P41145 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
MEN1 O00255 1/20 0.36
SLC22A1 O15245 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
TRPM2 O94759 1/20 0.36
ABCB11 O95342 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL8390088 0.80 CYP11B1 (0.35) KCNN4KCNA3CYP11B1CYP11B2TSHR
SCHEMBL2886936 0.79 CYP11B1 (0.37) KCNN4KCNA3CYP11B1CYP11B2TSHR
SCHEMBL8387829 0.76 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL8388301 0.76 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL9360458 0.74 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL2877298 0.74 CYP11B1 (0.40) KCNN4KCNA3CYP11B1CYP11B2TSHR
SCHEMBL8385614 0.73 KCNN4 (0.33) KCNN4KCNA3CYP11B1CYP11B2TSHR
SCHEMBL23496592 0.73 CYP11B1 (0.39) KCNN4KCNA3CYP11B1CYP11B2TSHR
SCHEMBL8387437 0.73 CYP11B1 (0.39) KCNN4KCNA3CYP11B1CYP11B2TSHR
SCHEMBL1848390 0.73 CYP11B1 (0.39) KCNN4KCNA3CYP11B1CYP11B2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
EP-2086324-A2 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS Merck & Co., Inc. (US) 2009-08-12 EP disclosed
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 US disclosed
WO-2008057336-A2 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-15 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-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds APOB, PCSK9, CYP46A1 KCNN4 1471/4885KCNA3 2473/4885CYP11B1 165/4885
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS LDLR, PCSK9, CYP46A1 KCNN4 2523/4885KCNA3 3118/4885CYP11B1 65/4885

“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.