SCHEMBL2182586

SCHEMBL2182586

Cn1c(=O)c2nc(NCCN3CCOCC3)nnc2n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
ALDH1A1 P00352 3/20 0.47
RXFP1 Q9HBX9 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.41
MAPK8 P45983 1/20 0.41
CA12 O43570 1/20 0.41
ABL1 P00519 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL2180487 0.88 SRC (0.41) POLBALDH1A1L3MBTL1TP53HSD17B10
SCHEMBL2180216 0.88 LMNA (0.44) POLBALDH1A1MAPK1TSHRMEN1
SCHEMBL2180599 0.86 CA1 (0.42) POLBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2182344 0.85 ALDH1A1 (0.42) POLBALDH1A1MAPK1SMN1; SMN2TSHR
SCHEMBL2181237 0.83 HSD17B10 (0.47) POLBALDH1A1MAPK1TSHRMEN1
SCHEMBL2182686 0.81 POLB (0.47) POLBALDH1A1RXFP1L3MBTL1MAPK1
SCHEMBL2183844 0.81 RXFP1 (0.47) POLBALDH1A1RXFP1L3MBTL1SMN1; SMN2
SCHEMBL2179252 0.81 SRC (0.47) POLBL3MBTL1MAPK1HSD17B10HTT
SCHEMBL2181386 0.81 POLB (0.48) POLBALDH1A1MAPK1TSHRMEN1
SCHEMBL2182028 0.81 TLR9 (0.46) POLBALDH1A1RXFP1L3MBTL1MAPK1

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 POLB 254/4885ALDH1A1 1526/4885RXFP1 3326/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR POLB 312/4885ALDH1A1 245/4885RXFP1 4290/4885

“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.