SCHEMBL16968327

SCHEMBL16968327

Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cccc(C#N)c32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ UBE2N P61088 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTR6 P50406 5/20 0.34
▸ PKM P14618 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ ALOX5 P09917 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ PRTN3 P24158 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL22759302 0.85 ELANE (0.36) KDM4EUBE2NHSD11B1L3MBTL1HTR6
SCHEMBL21963548 0.85 KDM4E (0.39) KDM4EUBE2NL3MBTL1HTR6PKM
SCHEMBL21068128 0.84 JAK2 (0.46) KDM4EUBE2NL3MBTL1HTR6PKM
SCHEMBL21058468 0.83 HTR6 (0.39) KDM4EUBE2NL3MBTL1HTR6PKM
SCHEMBL12011379 0.82 HTR6 (0.45) KDM4EUBE2NL3MBTL1HTR6PKM
SCHEMBL18662607 0.81 HTR6 (0.39) KDM4EUBE2NHSD11B1L3MBTL1HTR6
SCHEMBL29414046 0.79 KDM4E (0.56) KDM4EUBE2NL3MBTL1HTR6CYP19A1
SCHEMBL10182014 0.79 KDM4E (0.56) KDM4EUBE2NL3MBTL1HTR6CYP19A1
SCHEMBL17504500 0.79 KDM1A (0.34) KDM4EUBE2NL3MBTL1HTR6PKM
SCHEMBL31395395 0.79 BRD4 (0.41) KDM4EUBE2NL3MBTL1HTR6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725462-B2 Pyridopyrimidine derivatives as protein kinase inhibitors MERCK PATENT GMBH (DE) 2017-08-08 — — US disclosed
US-9725462-B2 Pyridopyrimidine derivatives as protein kinase inhibitors MERCK PATENT GMBH (DE) 2017-08-08 — — US disclosed
US-9725462-B2 Pyridopyrimidine derivatives as protein kinase inhibitors MERCK PATENT GMBH (DE) 2017-08-08 — — US disclosed
EP-2882746-B1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-12-07 — — EP disclosed
EP-2882746-B1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-12-07 — — EP disclosed
US-20150218186-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-08-06 — — US disclosed
US-20150218186-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-08-06 — — US disclosed
US-20150218186-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-08-06 — — 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-20150218186-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS SYK, LYN, IRAK1 KDM4E 1376/4885UBE2N 4149/4885HSD11B1 4831/4885

“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.

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