SCHEMBL6794633

SCHEMBL6794633

C=CCn1nc2c(c1C(=O)O)CCc1c[n+]([O-])ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
PTGER1 P34995 1/20 0.31

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
SCHEMBL6791799 0.79 HCAR2 (0.43) ALDH1A1
SCHEMBL6787073 0.79 ALDH1A1 (0.32) KDM4EALDH1A1PKMHPGDPTGER1
Hydrochloric Acid SCHEMBL6793305 0.70 CCNA2 (0.42)
SCHEMBL6793511 0.70 CDK2 (0.33) KDM4EALDH1A1PKMHPGD
SCHEMBL6791186 0.68 BRAF (0.36)
SCHEMBL6793266 0.68 MAPKAPK2 (0.41) KDM4EALDH1A1PKMHPGD
SCHEMBL6792432 0.67 ROCK2 (0.32)
SCHEMBL6792436 0.67 ROCK2 (0.32)
SCHEMBL6793189 0.63 CDK2 (0.35)
SCHEMBL1655455 0.62 CDK2 (0.36)

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 2 patents. 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
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 KDM4E 2167/4885ALDH1A1 4449/4885PKM 383/4885

“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.