SCHEMBL6793484

SCHEMBL6793484

CCOC(=O)c1c2c(nn1CCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)-c1c(cnn1-c1ccc(OC)cc1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
NPBWR1 P48145 2/20 0.38
MCHR1 Q99705 2/20 0.38
TP53 P04637 2/20 0.37
ALDH1A1 P00352 6/20 0.36
PDE4D Q08499 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36

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
SCHEMBL6799169 0.92 CCNA2 (0.36) CCNA2CDK2CCNA1TP53ALDH1A1
SCHEMBL6799158 0.76 ALDH1A1 (0.37) CCNA2CDK2CCNA1TP53ALDH1A1
Hydrochloric Acid SCHEMBL6797689 0.76 CDK2 (0.40) CCNA2CDK2CCNA1TP53HSD17B10
SCHEMBL6795951 0.72 CDK2 (0.36) CCNA2CDK2CCNA1ALDH1A1CDK4
SCHEMBL6794366 0.70 CDK2 (0.45) CCNA2CDK2CCNA1TP53ALDH1A1
SCHEMBL6791715 0.67 CDK2 (0.37) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL13852054 0.65 CDK2 (0.63) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6792545 0.64 CDK4 (0.36) CCNA2CDK2CCNA1TP53ALDH1A1
SCHEMBL6789045 0.64 MAPT (0.34) CCNA2CDK2CCNA1ALDH1A1CDK4
Hydrochloric Acid SCHEMBL1658075 0.64 MTOR (0.36) CCNA2CDK2CCNA1CDK4CCND3

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.