SCHEMBL3169604

SCHEMBL3169604

Cc1cc(N2C(=O)c3ccccc3C2=O)nn1Cc1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
NPBWR1 P48145 1/20 0.40
HTR7 P34969 3/20 0.40
BRD4 O60885 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
KCNH2 Q12809 3/20 0.38
KCNA5 P22460 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CXCR3 P49682 1/20 0.38
GAA P10253 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE3A Q14432 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
SCHEMBL3191353 0.85 TYR (0.43) CYP1A2CYP2C19
SCHEMBL3186932 0.82 PTGS2 (0.44) CYP11B1CYP11B2GRM5
SCHEMBL3572631 0.82 MEN1 (0.47) NPBWR1CYP1A2CYP2C19GAA
SCHEMBL3186195 0.77 PTGDR2 (0.48) PTGDR2NPBWR1HTR7BRD4BRD9
SCHEMBL3582439 0.76 PTGER1 (0.46)
SCHEMBL3180287 0.75 MAPT (0.47) CYP1A2GAAPDE4APDE4BPDE4C
SCHEMBL4095690 0.74 PTGER1 (0.64) CYP1A2CYP2C19
SCHEMBL2115447 0.72 KMT2A (0.54)
SCHEMBL15177630 0.72 KMT2A (0.38) CYP1A2CYP2C19GRM5
SCHEMBL17811623 0.71 KMT2A (0.45)

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-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 US disclosed
US-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 US disclosed
US-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 US disclosed
WO-2008074832-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE ( SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 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-20100022486-A1 COMPOUNDS SCD, CYP11B2, SCD5 PTGDR2 870/4885NPBWR1 4548/4885HTR7 1694/4885

“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.