SCHEMBL2181998

SCHEMBL2181998

Cn1c(=O)c2nc(NCCN3CCNCC3)nnc2n(C2CCCC2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CDK4 P11802 11/20 0.36
CDK6 Q00534 2/20 0.36
RAD52 P43351 1/20 0.35
ADORA2A P29274 2/20 0.35
CCND1 P24385 9/20 0.35
CCNA2 P20248 6/20 0.35
CDK2 P24941 6/20 0.35
CCND2 P30279 5/20 0.35
CCND3 P30281 5/20 0.35
CCNA1 P78396 3/20 0.35
CCNE2 O96020 2/20 0.35
CCNE1 P24864 2/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 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
SCHEMBL2181863 0.94 GAA (0.39) GAASMN1; SMN2HIF1ACA1CA2
SCHEMBL2182140 0.91 ADORA2A (0.37) GAAADORA2A
SCHEMBL2181800 0.90 SRC (0.36) CDK4CDK6ADORA2ACCND1CCNA2
SCHEMBL2182344 0.88 ALDH1A1 (0.42) SMN1; SMN2CA2CA9
SCHEMBL2180599 0.85 CA1 (0.42) CA1CA2CA9
SCHEMBL2182971 0.85 POLB (0.39) ADORA2A
SCHEMBL2182119 0.84 CACNA1G (0.39) GAASMN1; SMN2HIF1ACDK4RAD52
SCHEMBL2184891 0.84 SRC (0.41) GAAADORA2AFGFR1FGFR2FGFR4
SCHEMBL2182366 0.83 ADORA2A (0.39) CDK6ADORA2ACCND1CDK2CCNE1
SCHEMBL2182414 0.83 ADORA2A (0.39) 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.