SCHEMBL1312290

SCHEMBL1312290

O=c1c2c(nc(SCc3ccccc3)n1-c1ccccc1)CCN(c1nc3cc(C(F)(F)F)ccc3[nH]1)C2

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 2/20 0.78
PDE7A Q13946 4/20 0.41
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPY5R Q15761 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
CSNK1E P49674 1/20 0.38
CLPP Q16740 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
ALKBH3 Q96Q83 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
RECQL P46063 1/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH1A3 P47895 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1310226 0.94 MGAT2 (0.89) MGAT2PDE7AADRA1AKCNH2NPY5R
SCHEMBL1310572 0.92 MGAT2 (0.75) MGAT2PDE7AADRA1AKCNH2NPY5R
SCHEMBL12117210 0.89 MGAT2 (0.85) MGAT2PDE7AADRA1AKCNH2NPY5R
SCHEMBL12117155 0.89 MGAT2 (0.81) MGAT2ADRA1AKCNH2NPY5RLMNA
SCHEMBL12117381 0.89 MGAT2 (0.81) MGAT2ADRA1AKCNH2NPY5RCSNK1E
SCHEMBL12117162 0.89 MGAT2 (0.80) MGAT2ADRA1AKCNH2NPY5RTP53
SCHEMBL12117431 0.88 MGAT2 (0.81) MGAT2ADRA1AKCNH2NPY5RLMNA
SCHEMBL12117156 0.88 MGAT2 (0.81) MGAT2ADRA1AKCNH2NPY5RLMNA
SCHEMBL12117147 0.88 MGAT2 (0.63) MGAT2PDE7ALMNATP53RXFP1
SCHEMBL12117172 0.88 MGAT2 (0.80) MGAT2ADRA1AKCNH2NPY5RLMNA

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-20110275647-A1 PYRIMIDIN-4-(3H)-ONE DERIVATIVES MSD K.K. (JP) 2011-11-10 US claimed
US-20110275647-A1 PYRIMIDIN-4-(3H)-ONE DERIVATIVES MSD K.K. (JP) 2011-11-10 US disclosed
US-20110275647-A1 PYRIMIDIN-4-(3H)-ONE DERIVATIVES MSD K.K. (JP) 2011-11-10 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-20110275647-A1 PYRIMIDIN-4-(3H)-ONE DERIVATIVES ABL1, JAK2, JAK1 MGAT2 4111/4885PDE7A 1606/4885ADRA1A 596/4885

“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.