SCHEMBL2832174

SCHEMBL2832174

COc1cc(C)c(S(=O)(=O)N(C)C(COc2nccc(N3CCCC3Cc3ccccn3)n2)c2ccccc2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GNRHR P30968 4/20 0.34
DYRK1A Q13627 1/20 0.34
ADORA2A P29274 5/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA1 P30542 4/20 0.31
NOS2 P35228 2/20 0.31
ATM Q13315 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 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
SCHEMBL2832787 0.82 GNRHR (0.38) KDM4EALDH1A1L3MBTL1GNRHRDYRK1A
SCHEMBL2835368 0.81 GNRHR (0.37) KDM4EALDH1A1L3MBTL1GNRHRDYRK1A
SCHEMBL2835138 0.80 RET (0.37)
SCHEMBL2834090 0.78 BDKRB1 (0.44)
SCHEMBL2832611 0.78 ACACB (0.40)
SCHEMBL2833526 0.76 CRHR1 (0.33) L3MBTL1GAA
SCHEMBL2837314 0.75 LRRK2 (0.32)
SCHEMBL2837100 0.75 OPRD1 (0.35) ALDH1A1
SCHEMBL2831310 0.74 KDM4E (0.33) KDM4EALDH1A1L3MBTL1POLBGAA
SCHEMBL2833081 0.74 FFAR1 (0.34)

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 KDM4E 3383/4885ALDH1A1 2375/4885L3MBTL1 1424/4885

“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.