SCHEMBL6793040

SCHEMBL6793040

COc1cc2c(cc1N)-c1nn(CCCN)c(C(=O)O)c1CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAD52 P43351 1/20 0.33
PDPK1 O15530 1/20 0.33
CDK2 P24941 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALPL P05186 1/20 0.32
CLK1 P49759 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CHEK1 O14757 1/20 0.31
PLK1 P53350 1/20 0.30
NOTUM Q6P988 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
Hydrochloric Acid SCHEMBL6794509 0.99 HSD17B10 (0.33) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL6800373 0.90 HSD17B10 (0.34) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6792318 0.85 PDPK1 (0.35) PDPK1CDK2
Hydrochloric Acid SCHEMBL6790748 0.84 CTSS (0.36) HSD17B10KMT2APDE4APDE4BPDE4C
SCHEMBL6794810 0.84 PDPK1 (0.31) PDPK1CDK2KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL6799292 0.83 MEN1 (0.33) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6792438 0.78 PDPK1 (0.34) PDPK1CDK2
Bromide SCHEMBL1655616 0.78 PDPK1 (0.34) PDPK1CDK2
Hydrochloric Acid SCHEMBL1656581 0.77 HCAR2 (0.44) PDPK1CDK2
SCHEMBL6787224 0.77 DRD2 (0.40) 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 HSD17B10 2776/4885CYP1A2 1087/4885CYP3A4 2152/4885

“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.