SCHEMBL3186192

SCHEMBL3186192

Cc1cc(NC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)nn1Cc1ccccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.48
ESR2 Q92731 1/20 0.44
CYP2C9 P11712 1/20 0.41
MAP3K5 Q99683 7/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
NR1H2 P55055 1/20 0.40
UCHL1 P09936 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL3180343 0.91 PTGER1 (0.50) PTGER1ESR2CYP2C9MAP3K5NR1H2
SCHEMBL3179360 0.90 PTGER1 (0.49) PTGER1ESR2CYP2C9MAP3K5NR1H2
SCHEMBL3186031 0.89 PTGER1 (0.52) PTGER1ESR2CYP2C9MAP3K5NR1H2
SCHEMBL3587201 0.88 PTGER1 (0.50) PTGER1ESR2CYP2C9MAP3K5JAK2
SCHEMBL3186073 0.88 PTGER1 (0.45) PTGER1ESR2CYP2C9MAP3K5NR1H2
SCHEMBL3581181 0.86 PTGER1 (0.48) PTGER1ESR2CYP2C9MAP3K5JAK2
SCHEMBL3176471 0.84 PTGER1 (0.55) PTGER1ESR2CYP2C9
SCHEMBL3176691 0.84 PTGER1 (0.57) PTGER1ESR2CYP2C9
SCHEMBL3186899 0.82 PTGER1 (0.52) PTGER1ESR2CYP2C9MAP3K5
SCHEMBL3582433 0.82 PTGER1 (0.63) PTGER1CYP2C9

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 PTGER1 681/4885ESR2 2943/4885CYP2C9 34/4885

“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.