SCHEMBL2180522

SCHEMBL2180522

CCN(CC)CCNCc1nnc2c(n1)c(=O)n(C)c(=O)n2-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.35
HSD17B10 Q99714 4/20 0.35
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 3/20 0.35
THRB P10828 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
HKDC1 Q2TB90 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
HTT P42858 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL2182596 0.95 ALDH1A1 (0.37) TSHRHSD17B10HPGDKDM4EALDH1A1
SCHEMBL2182270 0.90 ALDH1A1 (0.37) TSHRHSD17B10HPGDKDM4EALDH1A1
SCHEMBL2181412 0.87 RAD52 (0.38) TSHRHSD17B10HPGDKDM4EALDH1A1
SCHEMBL2181236 0.86 DCTPP1 (0.35) TSHRHSD17B10KDM4EPOLBMAPT
SCHEMBL2182311 0.86 DCTPP1 (0.35) TSHRHSD17B10POLBMAPTSMN1; SMN2
SCHEMBL3262395 0.85 DCTPP1 (0.34) TSHRHSD17B10POLBMAPTSMN1; SMN2
SCHEMBL2182871 0.85 DCTPP1 (0.34) TSHRHSD17B10POLBMAPTSMN1; SMN2
SCHEMBL2179530 0.85 ALDH1A1 (0.36) TSHRHSD17B10HPGDKDM4EALDH1A1
SCHEMBL2182082 0.84 ALDH1A1 (0.40) TSHRHSD17B10HPGDKDM4EALDH1A1
SCHEMBL2182724 0.84 PCSK9 (0.39) TSHRKDM4EALDH1A1POLBSMN1; SMN2

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 TSHR 4571/4885HSD17B10 1725/4885HPGD 4564/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR TSHR 2089/4885HSD17B10 962/4885HPGD 237/4885

“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.