SCHEMBL3587201

SCHEMBL3587201

COc1ccccc1Cn1nc(NC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.50
MAP3K5 Q99683 4/20 0.45
ESR2 Q92731 1/20 0.45
P2RX3 P56373 3/20 0.44
CYP2C9 P11712 1/20 0.41
NAMPT P43490 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1H2 P55055 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3581181 0.92 PTGER1 (0.48) PTGER1MAP3K5ESR2CYP2C9JAK2
SCHEMBL3180343 0.91 PTGER1 (0.50) PTGER1MAP3K5ESR2CYP2C9SMN1; SMN2
SCHEMBL3179360 0.91 PTGER1 (0.49) PTGER1MAP3K5ESR2CYP2C9LMNA
SCHEMBL3582433 0.90 PTGER1 (0.63) PTGER1CYP2C9
SCHEMBL3186031 0.90 PTGER1 (0.52) PTGER1MAP3K5ESR2CYP2C9NR1H2
SCHEMBL3186192 0.88 PTGER1 (0.48) PTGER1MAP3K5ESR2CYP2C9JAK2
SCHEMBL3176471 0.85 PTGER1 (0.55) PTGER1ESR2CYP2C9LMNATSHR
SCHEMBL3176691 0.84 PTGER1 (0.57) PTGER1ESR2CYP2C9
SCHEMBL3186073 0.84 PTGER1 (0.45) PTGER1MAP3K5ESR2CYP2C9NR1H2
SCHEMBL3186899 0.83 PTGER1 (0.52) PTGER1MAP3K5ESR2CYP2C9LMNA

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-20100048617-A1 COMPOUNDS SMITHKLINE BEECHAM CORP. 2010-02-25 US disclosed
US-20100048617-A1 COMPOUNDS SMITHKLINE BEECHAM CORP. 2010-02-25 US disclosed
US-20100048617-A1 COMPOUNDS SMITHKLINE BEECHAM CORP. 2010-02-25 US disclosed
WO-2008074833-A2 COMPOUNDS 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-20100048617-A1 COMPOUNDS SCD, SCD5, CYP11B2 PTGER1 928/4885MAP3K5 2704/4885ESR2 3176/4885

“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.