SCHEMBL2179999

SCHEMBL2179999

Cn1c(=O)c2nc(CNCCNCCO)nnc2n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
JAK2 O60674 1/20 0.37
HPGD P15428 1/20 0.37
PAX8 Q06710 1/20 0.37
ADORA2B P29275 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PCSK9 Q8NBP7 5/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
ADORA2A P29274 2/20 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
SCHEMBL2184303 0.96 LMNA (0.37) LMNAHTTKDM4EALDH1A1JAK2
SCHEMBL2179191 0.87 ALDH1A1 (0.38) LMNAHTTKDM4EALDH1A1JAK2
SCHEMBL2182462 0.84 ALDH1A1 (0.38) LMNAHTTKDM4EALDH1A1JAK2
SCHEMBL2183984 0.84 CYP2D6 (0.44) LMNAHTTKDM4EALDH1A1JAK2
SCHEMBL2182066 0.83 ADORA2A (0.36) LMNAHTTALDH1A1JAK2ADORA2B
SCHEMBL2182956 0.83 CYP2C19 (0.40) LMNAHTTKDM4EALDH1A1JAK2
SCHEMBL2178990 0.83 ALDH1A1 (0.38) LMNAHTTKDM4EALDH1A1JAK2
SCHEMBL2181663 0.82 CYP2D6 (0.48) LMNAHTTKDM4EALDH1A1JAK2
SCHEMBL2182670 0.82 CYP2C19 (0.42) LMNAHTTKDM4EALDH1A1JAK2
SCHEMBL2182834 0.81 TP53 (0.38) LMNAHTTKDM4EALDH1A1JAK2

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 LMNA 1229/4885HTT 4447/4885KDM4E 2362/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR LMNA 4719/4885HTT 1887/4885KDM4E 4180/4885

“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.