SCHEMBL6790817

SCHEMBL6790817

CCOC(=O)c1nn(CCCNC(=O)OC(C)(C)C)c2c1CCC1NN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C=C21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.35
SIGMAR1 Q99720 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK6 Q00534 1/20 0.34
BRD4 O60885 3/20 0.33
KCNA3 P22001 1/20 0.33
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6791959 0.88 DRD2 (0.37) DRD2SIGMAR1KDM4EMAPTNPSR1
SCHEMBL6793946 0.86 CCNA2 (0.37) KDM4EMAPTCDK4CCNA2CDK2
SCHEMBL6798834 0.83 DRD2 (0.36) DRD2SIGMAR1KDM4EMAPTNPSR1
SCHEMBL6788857 0.83 ALDH1A1 (0.36) KDM4EMAPTNPSR1CDK4CCNA2
SCHEMBL6798186 0.82 ALDH1A1 (0.38) KDM4ECDK4CCNA2CDK2CCND3
SCHEMBL6800269 0.82 ALDH1A1 (0.38) KDM4ENPSR1CDK4CCNA2CDK2
SCHEMBL6790820 0.78 CCNA2 (0.36) DRD2SIGMAR1KDM4EMAPTNPSR1
SCHEMBL6794681 0.77 DRD2 (0.38) DRD2SIGMAR1KCNA3
SCHEMBL6794542 0.77 CCNA2 (0.40) DRD2SIGMAR1KDM4EMAPTNPSR1
SCHEMBL6793099 0.72 LMNA (0.36) KDM4EMAPTKCNA3MEN1KMT2A

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 DRD2 4396/4885SIGMAR1 4084/4885KDM4E 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.