SCHEMBL2839458

SCHEMBL2839458

COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2COc2nccc(N3CCC(CNC(=O)c4ccncc4)(N4CCN(C)CC4)CC3)n2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.42
HCN1 O60741 4/20 0.38
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 3/20 0.36
THRB P10828 2/20 0.35
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
MAPK14 Q16539 1/20 0.34
HCN4 Q9Y3Q4 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
SCHEMBL2830561 0.87 TP53 (0.42) TP53HCN1RAB9AMEN1KMT2A
SCHEMBL2834971 0.83 HTR7 (0.38) LMNACASP3CASP7
SCHEMBL3408994 0.83 TP53 (0.45) TP53HCN1MEN1KMT2ANPC1
SCHEMBL3409684 0.82 TP53 (0.44) TP53HCN1RAB9AMEN1KMT2A
SCHEMBL2835902 0.81 ALDH1A1 (0.38) LMNACASP3CASP7
SCHEMBL2835570 0.81 CASP3 (0.41) CASP3CASP7
SCHEMBL3406395 0.81 TP53 (0.44) TP53HCN1MEN1KMT2ANPC1
SCHEMBL2360744 0.80 CASP3 (0.41) LMNACASP3CASP7
SCHEMBL2839685 0.80 CASP3 (0.40) LMNACASP3CASP7
SCHEMBL2361261 0.79 BDKRB1 (0.40) CASP3CASP7

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
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

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 TP53 487/4885HCN1 3767/4885RAB9A 134/4885

“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.