SCHEMBL2181663

SCHEMBL2181663

CN(C)CCNCc1nnc2c(n1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 2/20 0.37
JAK2 O60674 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
HSD17B10 Q99714 4/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADORA2A P29274 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.34
BLM P54132 2/20 0.34
POLB P06746 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
SCHEMBL2183984 0.94 CYP2D6 (0.44) CYP2D6MAPK1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL2183519 0.88 TP53 (0.41) CYP2D6SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL2182462 0.84 ALDH1A1 (0.38) CYP2D6ALDH1A1KDM4ELMNAHPGD
SCHEMBL2179191 0.84 ALDH1A1 (0.38) CYP2D6L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL2182834 0.84 TP53 (0.38) CYP2D6SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL2181572 0.83 ADORA2A (0.36) CYP2D6JAK2ADORA2AADORA2B
SCHEMBL2178990 0.83 ALDH1A1 (0.38) CYP2D6L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL2182956 0.83 CYP2C19 (0.40) CYP2D6L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL2179999 0.82 LMNA (0.38) MAPK1L3MBTL1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2182270 0.81 ALDH1A1 (0.37) CYP2D6MAPK1SMN1; SMN2ALDH1A1KDM4E

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 CYP2D6 3881/4885MAPK1 3348/4885L3MBTL1 1981/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR CYP2D6 125/4885MAPK1 3843/4885L3MBTL1 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.