SCHEMBL6790823

SCHEMBL6790823

NC(=O)c1n[nH]c2c1CC(Cc1ccccc1)c1cc(O)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CYP26A1 O43174 4/20 0.36
CYP19A1 P11511 5/20 0.35
PARP1 P09874 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
KIF11 P52732 2/20 0.32
CHEK1 O14757 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL6788457 0.92 HCAR2 (0.39) CYP26A1CYP19A1
SCHEMBL6787520 0.82 JAK2 (0.37) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL6786978 0.82 ALDH1A1 (0.41) JAK2JAK1TYK2JAK3CYP19A1
SCHEMBL6800372 0.74 HCAR2 (0.43) CHEK1
SCHEMBL6793773 0.73 HCAR2 (0.48) CYP19A1
SCHEMBL6793173 0.62 MEN1 (0.43) ESR1ESR2CHEK1
SCHEMBL8466193 0.59 CYP19A1 (0.60) CYP26A1CYP19A1
SCHEMBL13827495 0.59 NR0B1 (0.44) CYP26A1KIF11
SCHEMBL8466044 0.59 CYP19A1 (0.50) CYP26A1CYP19A1KIF11
SCHEMBL15969586 0.59 CYP19A1 (0.67) CYP26A1CYP19A1

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 JAK2 394/4885JAK1 405/4885TYK2 537/4885

“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.