SCHEMBL2179410

SCHEMBL2179410

CN(C)CCCNc1ccc(-c2nnc3c(n2)c(=O)n(C)c(=O)n3-c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 6/20 0.46
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.35
PKM P14618 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAP4K4 O95819 1/20 0.34
SCN9A Q15858 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
DCTPP1 Q9H773 1/20 0.33
TP53 P04637 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
SCHEMBL2182925 0.94 RAD52 (0.39) RAD52ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2181882 0.91 ALDH1A1 (0.43) RAD52ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2180581 0.89 DPP4 (0.36) RAD52ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL30369683 0.89 DPP4 (0.36) RAD52ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL2185012 0.87 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRHSD17B10TDP1
SCHEMBL2181849 0.87 DPP4 (0.37) ALDH1A1TSHRHSD17B10CYP3A4DCTPP1
SCHEMBL2182510 0.86 RAD52 (0.43) RAD52ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2183045 0.86 RAD52 (0.43) RAD52ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2180445 0.86 KCNH2 (0.42) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL2181434 0.85 ADORA2A (0.45) KDM4EMAPK14TP53

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 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.