SCHEMBL6800372

SCHEMBL6800372

C=CCC1Cc2c(C(=O)O)n[nH]c2-c2ccc(O)cc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 16/20 0.43
CHEK1 O14757 1/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
GRK6 P43250 1/20 0.32
SLC6A4 P31645 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
SCHEMBL6787520 0.90 JAK2 (0.37) HCAR2CHEK1
SCHEMBL6788457 0.83 HCAR2 (0.39) HCAR2
SCHEMBL6793773 0.79 HCAR2 (0.48) HCAR2
SCHEMBL6790823 0.74 JAK2 (0.36) CHEK1
SCHEMBL6786978 0.70 ALDH1A1 (0.41) HCAR2CHEK1
SCHEMBL6793173 0.65 MEN1 (0.43) HCAR2CHEK1GRK6
SCHEMBL4790859 0.61 DYRK1A (0.50)
SCHEMBL4483250 0.61 HCAR2 (1.00) HCAR2
SCHEMBL3520429 0.59 HCAR2 (0.41) HCAR2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6280866 0.59 HSP90AA1 (0.50) CHEK1PRKAB2PRKAG1PRKAA2PRKAA1

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 HCAR2 1767/4885CHEK1 427/4885PRKAB2 66/4885

“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.