SCHEMBL2182969

SCHEMBL2182969

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 7/20 0.41
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
DCTPP1 Q9H773 1/20 0.36
POLB P06746 1/20 0.34
TP53 P04637 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
CYP1A2 P05177 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
KMT2A Q03164 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CDK1 P06493 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
SCHEMBL2178907 0.95 PCSK9 (0.41) PCSK9DCTPP1POLBTP53LMNA
SCHEMBL2184364 0.88 ALDH1A1 (0.38) PCSK9DCTPP1POLBTP53LMNA
SCHEMBL2182838 0.88 DCTPP1 (0.38) PCSK9DCTPP1POLBTP53LMNA
SCHEMBL2179530 0.87 ALDH1A1 (0.36) PCSK9DCTPP1POLBTP53LMNA
SCHEMBL2182724 0.86 PCSK9 (0.39) PCSK9IKBKBCHUKDCTPP1POLB
SCHEMBL2182078 0.86 DCTPP1 (0.37) PCSK9DCTPP1POLBTP53LMNA
SCHEMBL2181445 0.85 DCTPP1 (0.38) PCSK9DCTPP1POLBTP53LMNA
SCHEMBL2183045 0.84 RAD52 (0.43) PCSK9DCTPP1POLBSMN1; SMN2ALDH1A1
SCHEMBL2182806 0.84 ALDH1A1 (0.42) PCSK9DCTPP1POLBTP53LMNA
SCHEMBL2183481 0.84 DCTPP1 (0.37) PCSK9DCTPP1POLBTP53LMNA

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 PCSK9 119/4885IKBKB 11/4885CHUK 32/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR PCSK9 1993/4885IKBKB 2328/4885CHUK 1120/4885

“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.