SCHEMBL2833006

SCHEMBL2833006

COc1cc(C)c(S(=O)(=O)N2CCCC(Oc3nccc(N4CC5CC4CN5Cc4ccncc4)n3)C2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 3/20 0.34
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP19A1 P11511 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.31
LRRK2 Q5S007 1/20 0.31
POLB P06746 1/20 0.31
ACACB O00763 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL2835211 0.84 CASP3 (0.39) KMT2AMEN1
SCHEMBL2836069 0.82 CASP3 (0.37) KMT2AMEN1LMNAKDM2BSMN1; SMN2
SCHEMBL2831995 0.79 LMNA (0.40) KMT2AMEN1HTTLMNANPC1
SCHEMBL2839972 0.78 CYP2D6 (0.39) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL2839410 0.75 ACACB (0.37) KMT2AMEN1LMNACYP19A1MAPT
SCHEMBL2834917 0.73 LMNA (0.41) HTTLMNAMAPTSMN1; SMN2POLB
SCHEMBL2834771 0.72 LMNA (0.35) LMNAMAPTPOLBACACB
SCHEMBL2832170 0.70 CYP3A4 (0.42) SMN1; SMN2TSHRMAPK1
SCHEMBL2836657 0.70 BDKRB1 (0.39)
SCHEMBL2836550 0.70 AVPR1A (0.33) LRRK2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 EP claimed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US claimed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US claimed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 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-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS KMT2A 2453/4885MEN1 4037/4885HTT 1922/4885

“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.