SCHEMBL6790785

SCHEMBL6790785

CCOC(=O)c1c2c(nn1CCCC#N)-c1ccncc1CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK6 Q00534 1/20 0.35
BRAF P15056 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 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
SCHEMBL6794272 0.88 CCNA2 (0.37) CDK4CCNA2CDK2CCND3CCNA1
Hydrochloric Acid SCHEMBL6789049 0.87 CDK2 (0.37) ALDH1A1CDK4CCNA2CDK2CCND3
SCHEMBL6792409 0.87 TEAD2 (0.38) ALDH1A1CDK4CCNA2CDK2CCND3
SCHEMBL6799797 0.86 AAK1 (0.35) CDK2AAK1CREBBP
Hydrochloric Acid SCHEMBL6793245 0.85 CCNA2 (0.37) ALDH1A1CDK4CCNA2CDK2CCND3
SCHEMBL6791741 0.83 ALDH1A1 (0.35) ALDH1A1CDK4CCNA2CDK2CCND3
SCHEMBL6788323 0.81 CDK4 (0.35) ALDH1A1CDK4CCNA2CDK2CCND3
SCHEMBL6791186 0.81 BRAF (0.36) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6793980 0.81 LATS1 (0.37) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6786990 0.79 ELANE (0.36) ALDH1A1CDK4CCNA2CDK2CCND3

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 2 patents. 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
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 4449/4885CDK4 154/4885CCNA2 270/4885

“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.