SCHEMBL6794810

SCHEMBL6794810

CCC(C)Nc1cc2c(cc1OC)CCc1c-2nn(CCCN)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.31
CDK2 P24941 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PLK1 P53350 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.30
NSD2 O96028 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6792211 0.89 HCAR2 (0.33) PDPK1CDK2
SCHEMBL6793040 0.84 HSD17B10 (0.34) PDPK1CDK2KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL6794509 0.83 HSD17B10 (0.33) PDPK1CDK2KDM4EMEN1KMT2A
SCHEMBL6787885 0.80 DRD2 (0.37) PDPK1CDK2
Hydrochloric Acid SCHEMBL6790748 0.78 CTSS (0.36) KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6799292 0.77 MEN1 (0.33) KDM4EMEN1KMT2APLK1ALDH1A1
Hydrochloric Acid SCHEMBL6800373 0.77 HSD17B10 (0.34) PDPK1CDK2KDM4EKMT2APLK1
SCHEMBL6793386 0.76 PLK1 (0.32) PDPK1CDK2PLK1
SCHEMBL6792318 0.74 PDPK1 (0.35) PDPK1CDK2MAPK1
SCHEMBL6792438 0.73 PDPK1 (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 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 PDPK1 87/4885CDK2 29/4885KDM4E 2167/4885

“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.