SCHEMBL2182779

SCHEMBL2182779

Cn1c(=O)c2nc(C(=O)NCCCN3CCNCC3)nnc2n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
DPP4 P27487 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 3/20 0.37
THRB P10828 1/20 0.37
HTR2A P28223 2/20 0.36
CYP2D6 P10635 1/20 0.36
HTR1A P08908 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
KCNH2 Q12809 1/20 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
SCHEMBL2181227 0.93 HSD17B10 (0.43) POLBDPP4L3MBTL1HSD17B10GAA
SCHEMBL2183339 0.89 HSD17B10 (0.42) POLBL3MBTL1HSD17B10GAAKDM4E
SCHEMBL2182023 0.87 POLB (0.53) POLBHSD17B10KDM4EALDH1A1LMNA
SCHEMBL2182400 0.86 GAA (0.38) L3MBTL1HSD17B10GAAKDM4EALDH1A1
SCHEMBL2181718 0.85 ALDH1A1 (0.43) DPP4L3MBTL1HSD17B10GAAKDM4E
SCHEMBL2183625 0.84 HTR2A (0.41) POLBHSD17B10GAAKDM4EALDH1A1
SCHEMBL2183251 0.82 POLB (0.47) POLBDPP4ALDH1A1THRBHTR2A
SCHEMBL2180571 0.82 HDAC2 (0.44) L3MBTL1HSD17B10GAAKDM4EALDH1A1
SCHEMBL2180964 0.81 SMN1; SMN2 (0.41) DPP4L3MBTL1HSD17B10GAAKDM4E
SCHEMBL2180658 0.81 CACNA1G (0.41) HSD17B10GAAKDM4EALDH1A1MEN1

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 5 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
CN-115427032-A Pharmaceutical composition and use thereof 浙江养生堂天然药物研究所有限公司 2022-12-02 CN 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 POLB 254/4885DPP4 997/4885L3MBTL1 1981/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR POLB 312/4885DPP4 82/4885L3MBTL1 4659/4885

“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.