SCHEMBL844213

SCHEMBL844213

C[C@@H](c1ccccc1)[C@@H](c1nc2ccc(I)cc2[nH]1)N1C(=O)NC(c2ccc(OCCO)cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.49
ESR1 P03372 3/20 0.35
ESR2 Q92731 1/20 0.35
CHEK2 O96017 5/20 0.34
TPH1 P17752 1/20 0.34
TPH2 Q8IWU9 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
P2RY12 Q9H244 1/20 0.33
MLKL Q8NB16 2/20 0.32
CCNK O75909 1/20 0.31
CCND3 P30281 1/20 0.31
GSK3B P49841 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 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
SCHEMBL844212 1.00 MAP2K1 (0.49) MAP2K1ESR1ESR2CHEK2TPH1
SCHEMBL29055719 1.00 MAP2K1 (0.49) MAP2K1ESR1ESR2CHEK2TPH1
SCHEMBL30536457 1.00 MAP2K1 (0.49) MAP2K1ESR1ESR2CHEK2TPH1
SCHEMBL844132 1.00 MAP2K1 (0.49) MAP2K1ESR1ESR2CHEK2TPH1
SCHEMBL10076794 0.94 MAP2K1 (0.49) MAP2K1ESR1ESR2PDE3BPDE3A
SCHEMBL13765313 0.94 MAP2K1 (0.49) MAP2K1ESR1ESR2PDE3BPDE3A
SCHEMBL844655 0.92 MAP2K1 (0.45) MAP2K1ESR1MEN1HTTKMT2A
SCHEMBL21526761 0.92 MAP2K1 (0.45) MAP2K1ESR1MEN1HTTKMT2A
SCHEMBL844785 0.92 MAP2K1 (0.45) MAP2K1ESR1MEN1HTTKMT2A
SCHEMBL30536472 0.92 MAP2K1 (0.45) MAP2K1ESR1MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20240390488-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2024-11-28 US disclosed
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
US-7557221-B2 Substituted hydantoins HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
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 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 (8 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 13/4885ESR1 2719/4885ESR2 2447/4885
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 35/4885ESR1 1621/4885ESR2 654/4885
US-10646567-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885ESR1 2719/4885ESR2 2447/4885
US-20180021431-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885ESR1 2719/4885ESR2 2447/4885
US-20240390488-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885ESR1 2719/4885ESR2 2447/4885
US-20140341902-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885ESR1 2719/4885ESR2 2447/4885
US-20170112925-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885ESR1 2719/4885ESR2 2447/4885
US-20220105180-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885ESR1 2719/4885ESR2 2447/4885

“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.