SCHEMBL844655

SCHEMBL844655

COCCOc1ccc([C@H]2NC(=O)N([C@H](c3nc4ccc(I)cc4[nH]3)[C@@H](C)c3ccccc3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.45
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ESR1 P03372 3/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CBFB Q13951 2/20 0.31
MLKL Q8NB16 1/20 0.31
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PTPN1 P18031 1/20 0.31
ALPL P05186 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 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
SCHEMBL844656 1.00 MAP2K1 (0.45) MAP2K1S1PR1S1PR3ESR1MEN1
SCHEMBL30536472 1.00 MAP2K1 (0.45) MAP2K1S1PR1S1PR3ESR1MEN1
SCHEMBL21526761 1.00 MAP2K1 (0.45) MAP2K1S1PR1S1PR3ESR1MEN1
SCHEMBL844785 1.00 MAP2K1 (0.45) MAP2K1S1PR1S1PR3ESR1MEN1
SCHEMBL13765315 0.94 MAP2K1 (0.45) MAP2K1S1PR1S1PR3ESR1MAPK1
SCHEMBL13950576 0.94 MAP2K1 (0.45) MAP2K1S1PR1S1PR3ESR1MAPK1
SCHEMBL29055719 0.92 MAP2K1 (0.49) MAP2K1S1PR1S1PR3ESR1MEN1
SCHEMBL30536457 0.92 MAP2K1 (0.49) MAP2K1S1PR1S1PR3ESR1MEN1
SCHEMBL844132 0.92 MAP2K1 (0.49) MAP2K1S1PR1S1PR3ESR1MEN1
SCHEMBL844212 0.92 MAP2K1 (0.49) MAP2K1S1PR1S1PR3ESR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188276-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2012-03-28 EP claimed
US-7557221-B2 Substituted hydantoins HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US claimed
US-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents CHEN SHAOQING 2009-02-19 US claimed
US-20220105180-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2022-04-07 US disclosed
US-10946093-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors GENENTECH, INC. (US) 2021-03-16 US disclosed
US-10646567-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors GENENTECH, INC. (US) 2020-05-12 US disclosed
EP-3563870-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS F. Hoffmann-La Roche AG (CH) 2019-11-06 EP disclosed
EP-3169361-B1 COMPOSITIONS FOR TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS HOFFMANN LA ROCHE (CH) 2019-06-19 EP disclosed
EP-2739358-B1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS HOFFMANN LA ROCHE (CH) 2018-11-28 EP disclosed
US-20180021431-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2018-01-25 US disclosed
US-9724413-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors GENENTECH, INC. (US) 2017-08-08 US disclosed
EP-3169361-A1 COMPOSITIONS FOR TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS F. Hoffmann-La Roche AG (CH) 2017-05-24 EP disclosed
US-20170112925-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2017-04-27 US disclosed
WO-2016011160-A1 COMPOSITIONS FOR TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2016-01-21 WO disclosed
US-20140341902-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2014-11-20 US disclosed
EP-2188276-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2012-03-28 EP 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 (7 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-10946093-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885S1PR1 913/4885S1PR3 1282/4885
US-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents MAPK1, MAP3K2, MAP3K1 MAP2K1 35/4885S1PR1 1177/4885S1PR3 1360/4885
US-10646567-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885S1PR1 913/4885S1PR3 1282/4885
US-20180021431-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885S1PR1 913/4885S1PR3 1282/4885
US-20140341902-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885S1PR1 913/4885S1PR3 1282/4885
US-20170112925-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885S1PR1 913/4885S1PR3 1282/4885
US-20220105180-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885S1PR1 913/4885S1PR3 1282/4885

“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.