SCHEMBL3336071

SCHEMBL3336071

CC(C)(C)OC(=O)NCCNc1ccnc(N)n1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.60
NUDT1 P36639 4/20 0.54
HRH3 Q9Y5N1 4/20 0.54
TLR8 Q9NR97 1/20 0.52
BCHE P06276 1/20 0.49
ALOX5AP P20292 1/20 0.47
LATS1 O95835 1/20 0.46

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
SCHEMBL3778944 0.92 HRH3 (0.59) HRH4NUDT1HRH3TLR8
SCHEMBL3909008 0.84 STK17B (0.55) BCHEALOX5APLATS1
SCHEMBL12355030 0.81 ROCK1 (0.53) HRH4NUDT1
SCHEMBL15757277 0.81 CYP2D6 (0.56) HRH4BCHELATS1
SCHEMBL14907944 0.79 BCHE (0.49) HRH4HRH3BCHEALOX5APLATS1
SCHEMBL3339614 0.79 HRH3 (0.61) HRH4NUDT1HRH3TLR8
SCHEMBL6174559 0.78 BCHE (0.54) BCHELATS1
SCHEMBL20974133 0.78 SUV39H2 (0.46) BCHEALOX5APLATS1
SCHEMBL17784777 0.78 STK17B (0.48) HRH4BCHEALOX5APLATS1
SCHEMBL23640753 0.77 KDM4D (0.58) BCHEALOX5APLATS1

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-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
US-8268846-B2 Amino heterocyclic linked pyrimidine derivatives ABBOTT LABORATORIES (US) 2012-09-18 US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 US disclosed
US-20100016344-A1 AMINO HETEROCYCLIC LINKED PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-01-21 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-20100016344-A1 AMINO HETEROCYCLIC LINKED PYRIMIDINE DERIVATIVES DPYD, TYMS, UMPS HRH4 2024/4885NUDT1 6/4885HRH3 2456/4885
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 HRH4 2/4885NUDT1 249/4885HRH3 3/4885

“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.