SCHEMBL6792409

SCHEMBL6792409

CCOC(=O)c1c2c(nn1CCCCN)-c1ccncc1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD2 Q15562 1/20 0.38
CDK2 P24941 3/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND3 P30281 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK6 Q00534 1/20 0.36
PDPK1 O15530 2/20 0.35
BRAF P15056 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35

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
Hydrochloric Acid SCHEMBL6789049 0.96 CDK2 (0.37) TEAD2CDK2CDK4CCNA2CCND3
Hydrochloric Acid SCHEMBL6793245 0.92 CCNA2 (0.37) CDK2CDK4CCNA2CCND3CCNA1
SCHEMBL6794272 0.89 CCNA2 (0.37) CDK2CDK4CCNA2CCND3CCNA1
SCHEMBL6790785 0.87 ALDH1A1 (0.37) CDK2CDK4CCNA2CCND3CCNA1
Hydrochloric Acid SCHEMBL1658063 0.85 CDK2 (0.40) CDK2CCNA2CCNA1PDPK1BRAF
SCHEMBL6788323 0.83 CDK4 (0.35) CDK2CDK4CCNA2CCND3CCNA1
SCHEMBL6791186 0.82 BRAF (0.36) CDK2CDK4CCNA2CCND3CCNA1
SCHEMBL6793980 0.82 LATS1 (0.37) CDK2CDK4CCNA2CCND3CCNA1
SCHEMBL6787529 0.82 TUBB4A (0.38) CDK2CDK4CCNA2CCND3CCNA1
Hydrochloric Acid SCHEMBL1658167 0.82 CDK2 (0.42) CDK2CCNA2CCNA1PDPK1BRAF

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 TEAD2 3957/4885CDK2 29/4885CDK4 154/4885

“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.