SCHEMBL2182834

SCHEMBL2182834

CCN(CC)CCCNCc1nnc2c(n1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
CYP2D6 P10635 1/20 0.35
ADORA2A P29274 4/20 0.35
ADORA1 P30542 3/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
JAK2 O60674 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2183519 0.94 TP53 (0.41) TP53MAPTPOLBTHRBBLM
SCHEMBL2183984 0.88 CYP2D6 (0.44) MAPTPOLBTHRBBLMCYP2D6
SCHEMBL2182509 0.84 ADORA2A (0.34) MAPTADORA2AALDH1A1LMNAJAK2
SCHEMBL2181663 0.84 CYP2D6 (0.48) MAPTPOLBTHRBBLMCYP2D6
SCHEMBL2182462 0.84 ALDH1A1 (0.38) MAPTPOLBTHRBBLMCYP2D6
SCHEMBL2184303 0.83 LMNA (0.37) MAPTADORA2AADORA1ADORA2BKDM4E
SCHEMBL2182596 0.83 ALDH1A1 (0.37) TP53MAPTPOLBTHRBBLM
SCHEMBL2182956 0.83 CYP2C19 (0.40) MAPTPOLBTHRBBLMCYP2D6
SCHEMBL2178990 0.83 ALDH1A1 (0.38) MAPTPOLBTHRBBLMCYP2D6
SCHEMBL2181684 0.82 FGFR1 (0.42) TP53MAPTPOLBTHRBBLM

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 TP53 668/4885MAPT 4112/4885POLB 254/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR TP53 64/4885MAPT 3896/4885POLB 312/4885

“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.