SCHEMBL6793946

SCHEMBL6793946

CCOC(=O)c1nn(CCO)c2c1CCC1NN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C=C21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CCNA1 P78396 3/20 0.37
CDK4 P11802 1/20 0.37
CCND3 P30281 1/20 0.37
CDK6 Q00534 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ELANE P08246 3/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL6788857 0.90 ALDH1A1 (0.36) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6798186 0.90 ALDH1A1 (0.38) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6800269 0.89 ALDH1A1 (0.38) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6790817 0.86 DRD2 (0.35) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6793099 0.85 LMNA (0.36) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL6794409 0.78 SMN1; SMN2 (0.39) ALDH1A1LMNACYP2C9CYP2C19MEN1
SCHEMBL6793129 0.77 MEN1 (0.39) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL6790548 0.77 CCNA2 (0.37) CCNA2CDK2CCNA1RAB9A
SCHEMBL6792555 0.76 AURKA (0.47) ALDH1A1KDM4EHPGDTP53LMNA
SCHEMBL6794835 0.76 OPRD1 (0.35) ALDH1A1KDM4EHPGDLMNAHSD17B10

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 CCNA2 270/4885CDK2 29/4885CCNA1 527/4885

“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.