SCHEMBL15566251

SCHEMBL15566251

Cc1ccc(S(=O)(=O)n2ccc3ccc(C(F)(F)F)cc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ HTR6 P50406 11/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A2 P43004 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ RORC P51449 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTT P42858 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RAPGEF4 Q8WZA2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ S1PR1 P21453 1/20 0.43

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
SCHEMBL14631737 0.89 HTR6 (0.53) ALDH1A1HTR6MEN1KMT2AL3MBTL1
SCHEMBL30075056 0.89 HTR6 (0.53) ALDH1A1HTR6MEN1KMT2AL3MBTL1
SCHEMBL18161364 0.88 HTR6 (0.49) ALDH1A1HTR6MEN1KMT2ASLC1A3
SCHEMBL45741 0.86 HTR6 (0.63) ALDH1A1HTR6MEN1KMT2AL3MBTL1
SCHEMBL31319736 0.86 HTR6 (0.63) ALDH1A1HTR6MEN1KMT2AL3MBTL1
SCHEMBL1898211 0.84 HTR6 (0.56) ALDH1A1HTR6MEN1KMT2ASLC1A3
SCHEMBL1892821 0.82 HTR6 (0.54) ALDH1A1HTR6MEN1KMT2ASLC1A3
SCHEMBL23148054 0.80 ALDH1A1 (0.45) ALDH1A1HTR6MEN1KMT2AL3MBTL1
SCHEMBL29813109 0.80 ALDH1A1 (0.45) ALDH1A1HTR6MEN1KMT2AL3MBTL1
SCHEMBL30892194 0.80 HTR6 (0.52) HTR6MEN1KMT2ARORCDRD2

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 13 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
CN-104507942-B Pyridopyrimidine derivatives as protein kinase inhibitors 默克专利股份公司 2017-03-22 — — CN 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
EP-2882746-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Merck Patent GmbH (DE) 2015-06-17 — — EP disclosed
CN-104507942-A Pyridopyrimidine derivatives as protein kinase inhibitors MERCK PATENT GMBH 2015-04-08 — — CN disclosed
WO-2014023385-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-02-13 — — WO disclosed
WO-2014023385-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-02-13 — — 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-20150218186-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS SYK, LYN, IRAK1 ALDH1A1 3894/4885HTR6 2987/4885MEN1 3254/4885

“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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