SCHEMBL2181863

SCHEMBL2181863

Cn1c(=O)c2nc(NCCCN3CCNCC3)nnc2n(C2CCCC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
POLB P06746 1/20 0.37
CDK4 P11802 9/20 0.35
CDK6 Q00534 2/20 0.35
ADORA2A P29274 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CCND1 P24385 7/20 0.34
CCND2 P30279 5/20 0.34
CCND3 P30281 5/20 0.34
CCNA2 P20248 4/20 0.34
CDK2 P24941 4/20 0.34
CCNA1 P78396 3/20 0.34
CCNE2 O96020 2/20 0.34
CCNE1 P24864 2/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL2181998 0.94 GAA (0.40) GAASMN1; SMN2HIF1ACDK4CDK6
SCHEMBL2182971 0.91 POLB (0.39) POLBADORA2AHTR1AHTR2ASRC
SCHEMBL2184891 0.90 SRC (0.41) GAAPOLBADORA2AHTR1AHTR2A
SCHEMBL2184055 0.89 POLB (0.48) GAASMN1; SMN2POLBFGFR1FGFR2
SCHEMBL2183251 0.86 POLB (0.47) POLBCA1CA2CA9HTR1A
SCHEMBL2182140 0.85 ADORA2A (0.37) GAAADORA2ASRC
SCHEMBL2182400 0.85 GAA (0.38) GAASMN1; SMN2HIF1AHTR2A
SCHEMBL2181800 0.84 SRC (0.36) CDK4CDK6ADORA2ACCND1CCND2
SCHEMBL2184389 0.84 ADORA2A (0.38) GAACDK6ADORA2ACCND1CDK2
SCHEMBL2184442 0.84 ADORA2A (0.38) CDK6ADORA2ACCND1CDK2CCNE1

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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US 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 GAA 2804/4885SMN1; SMN2 2047/4885HIF1A 1000/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR GAA 1134/4885SMN1; SMN2 2741/4885HIF1A 3662/4885

“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.