SCHEMBL2184332

SCHEMBL2184332

CCN(CC)CCNCc1nnc2c(n1)c(=O)n(C)c(=O)n2C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.35
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
CCND2 P30279 3/20 0.35
CCND3 P30281 3/20 0.35
ALDH1A1 P00352 4/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL2182509 0.95 ADORA2A (0.34) ADORA2ACDK4CCND1CCND2CCND3
SCHEMBL2181572 0.90 ADORA2A (0.36) ADORA2ACRHBPCRHR2JAK2JAK1
SCHEMBL2184114 0.87 ADORA2A (0.36) ADORA2ASMN1; SMN2JAK2JAK1JAK3
SCHEMBL2182884 0.85 ADORA2A (0.38) ADORA2AALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL2181108 0.85 ADORA2A (0.38) ADORA2AALDH1A1CRHBPCRHR2MEN1
SCHEMBL2181754 0.85 ADORA2A (0.37) ADORA2AALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL2181516 0.85 ADORA2A (0.37) ADORA2AALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL2184354 0.84 CCND1 (0.35) ADORA2ACDK4CCND1CCND2CCND3
SCHEMBL2183519 0.84 TP53 (0.41) ADORA2AALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL2182066 0.84 ADORA2A (0.36) ADORA2AALDH1A1CRHBPCRHR2MEN1

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 4 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
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO 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 ADORA2A 2201/4885CDK4 330/4885CCND1 1482/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR ADORA2A 836/4885CDK4 106/4885CCND1 386/4885

“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.