SCHEMBL6799158

SCHEMBL6799158

CCOC(=O)c1c2c(nn1CCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
DUT P33316 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
ADORA2A P29274 1/20 0.36
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
F2RL3 Q96RI0 1/20 0.34

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
SCHEMBL6793484 0.76 CCNA2 (0.40) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL12499870 0.75 HTT (0.41) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL4166091 0.73 BRD4 (0.41) ALDH1A1KDM4EHSD17B10HPGDADORA2A
SCHEMBL6795951 0.72 CDK2 (0.36) ALDH1A1MAPTSMN1; SMN2LMNACDK4
SCHEMBL23850047 0.72 LMNA (0.46) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL23849972 0.71 SMN1; SMN2 (0.41) ALDH1A1KDM4EHSD17B10HPGDADORA2A
SCHEMBL23850212 0.71 CYP19A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL21996008 0.70 TRPM2 (0.39) ALDH1A1KDM4EHSD17B10HPGDCYP2C9
SCHEMBL4149750 0.70 AKR1B1 (0.44) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL6786923 0.70 DUT (0.35) DUT

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 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 ALDH1A1 4449/4885KDM4E 2167/4885HSD17B10 2776/4885

“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.