SCHEMBL6793655

SCHEMBL6793655

CCOC(=O)c1c2c(nn1CCN)-c1cc(Cl)ncc1CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCND3 P30281 1/20 0.37
CCNA1 P78396 1/20 0.37
CDK6 Q00534 1/20 0.37
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
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 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 SCHEMBL6794920 0.99 CDK4 (0.36) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL430218 0.86 TUBB4A (0.34) CDK4CCNA2CDK2CCND3CCNA1
Hydrochloric Acid SCHEMBL6796165 0.85 CCNA2 (0.35) CDK4CCNA2CDK2CCND3CCNA1
Hydrochloric Acid SCHEMBL430217 0.85 CFTR (0.33) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6800043 0.84 CYP11B1 (0.36) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL426798 0.83 CFTR (0.33) CDK4CCNA2CDK2CCND3CCNA1
Hydrochloric Acid SCHEMBL426797 0.83 CFTR (0.32) CDK4CCNA2CDK2CCND3CCNA1
Hydrochloric Acid SCHEMBL6793245 0.81 CCNA2 (0.37) CDK4CCNA2CDK2CCND3CCNA1
Hydrochloric Acid SCHEMBL6793679 0.81 CDK2 (0.39) CDK4CCNA2CDK2CCND3CCNA1
Hydrochloric Acid SCHEMBL6793687 0.81 CDK2 (0.39) CDK4CCNA2CDK2CCND3CCNA1

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 claimed

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 CDK4 154/4885CCNA2 270/4885CDK2 29/4885

“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.