SCHEMBL2182767

SCHEMBL2182767

Cn1c(=O)c2nc(CNCCCN3CCCCC3)nnc2n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 4/20 0.39
PKM P14618 1/20 0.38
HTR2A P28223 4/20 0.38
HTR1A P08908 3/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 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
SCHEMBL2182443 0.94 LMNA (0.43) POLBLMNAGAATSHRPKM
SCHEMBL2180739 0.89 POLB (0.53) POLBLMNAGAATSHRALDH1A1
SCHEMBL2182996 0.86 MTOR (0.36) POLBLMNAGAAKMT2AMEN1
SCHEMBL2181518 0.83 SCN5A (0.42) TSHRALDH1A1KMT2AMEN1HRH3
SCHEMBL2182686 0.83 POLB (0.47) POLBTSHRALDH1A1KMT2AMEN1
SCHEMBL2182462 0.83 ALDH1A1 (0.38) POLBLMNAGAATSHRALDH1A1
SCHEMBL2181386 0.82 POLB (0.48) POLBLMNAGAATSHRPKM
SCHEMBL2182956 0.82 CYP2C19 (0.40) POLBLMNAGAATSHRALDH1A1
SCHEMBL2178990 0.82 ALDH1A1 (0.38) POLBLMNAGAAALDH1A1KMT2A
SCHEMBL2179191 0.80 ALDH1A1 (0.38) POLBLMNAGAAALDH1A1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR POLB 312/4885LMNA 4719/4885GAA 1134/4885

“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.