SCHEMBL2183045

SCHEMBL2183045

CN(C)CCCNc1nnc2c(n1)c(=O)n(C)c(=O)n2-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.43
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37
SCN9A Q15858 1/20 0.36
DCTPP1 Q9H773 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
CXCR3 P49682 2/20 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
SCHEMBL2182806 0.94 ALDH1A1 (0.42) RAD52ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL3259625 0.93 RAD52 (0.37) RAD52ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2183482 0.90 ALDH1A1 (0.42) RAD52ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2184364 0.90 ALDH1A1 (0.38) RAD52ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2182078 0.88 DCTPP1 (0.37) ALDH1A1TSHRHSD17B10DCTPP1POLB
SCHEMBL2183481 0.88 DCTPP1 (0.37) ALDH1A1TSHRHSD17B10DCTPP1POLB
SCHEMBL2178907 0.87 PCSK9 (0.41) ALDH1A1KDM4ETSHRHSD17B10DCTPP1
SCHEMBL2182082 0.86 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRHSD17B10TDP1
SCHEMBL2179410 0.86 RAD52 (0.46) RAD52ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2181859 0.86 TSHR (0.36) ALDH1A1KDM4ETSHRHSD17B10TDP1

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 4 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
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 RAD52 2374/4885ALDH1A1 1526/4885KDM4E 2362/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR RAD52 705/4885ALDH1A1 245/4885KDM4E 4180/4885

“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.