SCHEMBL6798186

SCHEMBL6798186

CCOC(=O)Cn1nc(C(=O)OCC)c2c1C1=CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)NC1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
CDK4 P11802 1/20 0.35
CCND3 P30281 1/20 0.35
CDK6 Q00534 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
TRPM2 O94759 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 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
SCHEMBL6793946 0.90 CCNA2 (0.37) ALDH1A1KDM4EHPGDTP53TSHR
SCHEMBL6800269 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL6788857 0.87 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDTP53TSHR
SCHEMBL6793129 0.85 MEN1 (0.39) ALDH1A1KDM4EHPGDTSHRHTT
SCHEMBL6790817 0.82 DRD2 (0.35) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL6794409 0.78 SMN1; SMN2 (0.39) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL6793099 0.77 LMNA (0.36) ALDH1A1KDM4EHPGDTSHRMEN1
SCHEMBL6790548 0.77 CCNA2 (0.37) CCNA2CDK2CCNA1
SCHEMBL6792555 0.76 AURKA (0.47) ALDH1A1KDM4EHPGDTP53TSHR
SCHEMBL6794835 0.76 OPRD1 (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2GAA

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 2167/4885HPGD 814/4885

“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.