SCHEMBL2182005

SCHEMBL2182005

CCN(CC)CCNc1nnc2c(n1)c(=O)n(C)c(=O)n2C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 5/20 0.37
CDK4 P11802 3/20 0.37
CCND2 P30279 3/20 0.37
CCND3 P30281 3/20 0.37
TP53 P04637 1/20 0.37
ADORA2A P29274 2/20 0.36
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CDK6 Q00534 2/20 0.33
KAT2B Q92831 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SRC P12931 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2184354 0.94 CCND1 (0.35) CCND1CDK4CCND2CCND3TP53
SCHEMBL2182242 0.94 FGFR1 (0.37) CCND1CDK4CCND2CCND3TP53
SCHEMBL2180532 0.93 CCND1 (0.35) CCND1CDK4CCND2CCND3TP53
SCHEMBL2180585 0.89 CYP2D6 (0.42) ADORA2ACNR2CCNE1CDK2SRC
SCHEMBL2181649 0.85 KDM1A (0.37) ADORA2ASRCMEN1KMT2A
SCHEMBL2182414 0.85 ADORA2A (0.39) CCND1ADORA2ACCNE1CDK2CDK6
SCHEMBL2182366 0.85 ADORA2A (0.39) CCND1ADORA2ACCNE1CDK2CDK6
SCHEMBL2184332 0.84 ADORA2A (0.35) CCND1CDK4CCND2CCND3TP53
SCHEMBL2180415 0.84 CYP2D6 (0.37) CDK4ADORA2ACCNE1CDK2CDK6
SCHEMBL2183395 0.83 TP53 (0.47) TP53ADORA2AALDH1A1CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
EP-4129282-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-02-08 EP disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 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 (2 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 CCND1 1482/4885CDK4 330/4885CCND2 1936/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR CCND1 386/4885CDK4 106/4885CCND2 284/4885

“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.