SCHEMBL3186149

SCHEMBL3186149

Cc1cc(NC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)nn1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.44
PTGER1 P34995 3/20 0.44
ESR2 Q92731 1/20 0.44
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
ABCB1 P08183 1/20 0.43
MAP3K5 Q99683 7/20 0.41
KCNK3 O14649 1/20 0.40
NAMPT P43490 1/20 0.39
NR1H2 P55055 1/20 0.39

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
SCHEMBL3186899 0.89 PTGER1 (0.52) P2RY14PTGER1ESR2ABCB1MAP3K5
SCHEMBL3186073 0.89 PTGER1 (0.45) PTGER1ESR2MAP3K5NR1H2
SCHEMBL3176471 0.86 PTGER1 (0.55) PTGER1ESR2
SCHEMBL20367132 0.86 ABCB1 (0.45) P2RY14ESR2RAF1BRAFJAK2
SCHEMBL3184449 0.85 PTGER1 (0.49) PTGER1ESR2MAP3K5NR1H2
SCHEMBL20367121 0.85 ABCB1 (0.44) ESR2RAF1BRAFJAK2JAK3
SCHEMBL3180343 0.83 PTGER1 (0.50) P2RY14PTGER1ESR2MAP3K5NR1H2
SCHEMBL3179360 0.83 PTGER1 (0.49) PTGER1ESR2ABCB1MAP3K5NR1H2
SCHEMBL20367418 0.83 KCNH2 (0.45) P2RY14ESR2RAF1BRAFJAK2
SCHEMBL3581181 0.83 PTGER1 (0.48) PTGER1ESR2JAK2JAK3PTK2

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-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 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-20100022486-A1 COMPOUNDS SCD, CYP11B2, SCD5 P2RY14 1512/4885PTGER1 681/4885ESR2 2943/4885

“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.