SCHEMBL2178907

SCHEMBL2178907

Cn1c(=O)c2nc(NCCCNCCO)nnc2n(-c2ccc(F)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 5/20 0.41
DCTPP1 Q9H773 1/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK8 P45983 1/20 0.33
NSD2 O96028 1/20 0.33
FGB P02675 1/20 0.33
MMP14 P50281 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK1 P06493 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL2182969 0.95 PCSK9 (0.41) PCSK9DCTPP1TSHRPOLBLMNA
SCHEMBL2183481 0.89 DCTPP1 (0.37) PCSK9DCTPP1TSHRPOLBLMNA
SCHEMBL3259625 0.89 RAD52 (0.37) DCTPP1TSHRPOLBALDH1A1KDM4E
SCHEMBL2183045 0.87 RAD52 (0.43) PCSK9DCTPP1TSHRPOLBSMN1; SMN2
SCHEMBL2182078 0.87 DCTPP1 (0.37) PCSK9DCTPP1TSHRPOLBLMNA
SCHEMBL2181859 0.87 TSHR (0.36) DCTPP1TSHRPOLBLMNASMN1; SMN2
SCHEMBL2180936 0.86 PCSK9 (0.39) PCSK9DCTPP1TSHRPOLBLMNA
SCHEMBL2183482 0.85 ALDH1A1 (0.42) PCSK9DCTPP1TSHRLMNASMN1; SMN2
SCHEMBL2182838 0.85 DCTPP1 (0.38) PCSK9DCTPP1TSHRPOLBLMNA
SCHEMBL2181445 0.85 DCTPP1 (0.38) PCSK9DCTPP1TSHRPOLBLMNA

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
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 PCSK9 119/4885DCTPP1 3105/4885TSHR 4571/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR PCSK9 1993/4885DCTPP1 49/4885TSHR 2089/4885

“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.