SCHEMBL6792318

SCHEMBL6792318

NCCCn1nc2c(c1C(=O)O)CCc1cc(O)c(N)cc1-2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.35
CDK2 P24941 1/20 0.35
HCAR2 Q8TDS4 1/20 0.31
BRAF P15056 1/20 0.30
MAPK3 P27361 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6792438 0.88 PDPK1 (0.34) PDPK1CDK2HCAR2
Bromide SCHEMBL1655616 0.87 PDPK1 (0.34) PDPK1CDK2HCAR2
SCHEMBL6793040 0.85 HSD17B10 (0.34) PDPK1CDK2
Hydrochloric Acid SCHEMBL6794509 0.85 HSD17B10 (0.33) PDPK1CDK2
Hydrochloric Acid SCHEMBL1656581 0.83 HCAR2 (0.44) PDPK1CDK2HCAR2BRAFMAPK3
SCHEMBL5482684 0.82 PDPK1 (0.31) PDPK1CDK2
SCHEMBL6792211 0.81 HCAR2 (0.33) PDPK1CDK2HCAR2
Trifluoroacetic Acid SCHEMBL1655959 0.80 OPRD1 (0.34) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL6791711 0.80 BRAF (0.38) PDPK1CDK2BRAFMAPK3MAPK1
Trifluoroacetic Acid SCHEMBL6792875 0.80 GABRA1 (0.34) PDPK1CDK2

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 PDPK1 87/4885CDK2 29/4885HCAR2 1767/4885

“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.