SCHEMBL1311036

SCHEMBL1311036

O=c1c2c(nc(SCc3ccccc3)n1-c1ccccc1)CCN(c1nc3cc(F)c(F)cc3[nH]1)C2

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 1/20 0.68
PDE7A Q13946 4/20 0.44
LMNA P02545 4/20 0.42
TP53 P04637 2/20 0.42
OPRL1 P41146 2/20 0.41
ALDH1A2 O94788 6/20 0.40
ALDH1A1 P00352 6/20 0.40
ALDH1A3 P47895 6/20 0.40
NPY5R Q15761 1/20 0.39
RECQL P46063 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL12117147 0.88 MGAT2 (0.63) MGAT2PDE7ALMNATP53ALDH1A1
SCHEMBL1312290 0.87 MGAT2 (0.78) MGAT2PDE7ALMNATP53ALDH1A2
SCHEMBL12117155 0.84 MGAT2 (0.81) MGAT2LMNATP53NPY5R
SCHEMBL12117156 0.83 MGAT2 (0.81) MGAT2LMNATP53ALDH1A2ALDH1A1
SCHEMBL12117381 0.83 MGAT2 (0.81) MGAT2NPY5RMEN1KMT2A
SCHEMBL12117210 0.83 MGAT2 (0.85) MGAT2PDE7ANPY5R
SCHEMBL12117162 0.82 MGAT2 (0.80) MGAT2TP53NPY5R
SCHEMBL12117154 0.82 MGAT2 (0.75) MGAT2NPY5R
SCHEMBL12117431 0.82 MGAT2 (0.81) MGAT2LMNATP53ALDH1A2ALDH1A1
SCHEMBL12117148 0.81 MGAT2 (0.74) MGAT2PDE7ALMNATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398800-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES MSD K.K. (JP) 2011-12-28 EP claimed
US-20110275647-A1 PYRIMIDIN-4-(3H)-ONE DERIVATIVES MSD K.K. (JP) 2011-11-10 US claimed
WO-2010095767-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-08-26 WO 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
US-20110275647-A1 PYRIMIDIN-4-(3H)-ONE DERIVATIVES MSD K.K. (JP) 2011-11-10 US disclosed
WO-2010095767-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-08-26 WO 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 1606/4885LMNA 2865/4885

“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.