SCHEMBL844101

SCHEMBL844101

O=C1N[C@H](c2ccc(OCCO)cc2)C(=O)N1[C@@H](Cc1ccccc1)c1nc2ccc(I)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.41
TPH1 P17752 1/20 0.38
TPH2 Q8IWU9 1/20 0.38
CHEK2 O96017 7/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PTPN1 P18031 1/20 0.34
PDE3B Q13370 5/20 0.34
PDE3A Q14432 5/20 0.34
P2RY12 Q9H244 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL844406 1.00 MAP2K1 (0.41) MAP2K1TPH1TPH2CHEK2ESR1
SCHEMBL29055707 1.00 MAP2K1 (0.41) MAP2K1TPH1TPH2CHEK2ESR1
SCHEMBL844361 0.94 MAP2K1 (0.41) MAP2K1TPH1TPH2CHEK2ESR1
SCHEMBL844360 0.94 MAP2K1 (0.41) MAP2K1TPH1TPH2CHEK2ESR1
SCHEMBL859794 0.86 MAP2K1 (0.37) MAP2K1CHEK2ESR1ESR2PTPN1
SCHEMBL843993 0.86 MAP2K1 (0.37) MAP2K1CHEK2ESR1ESR2PTPN1
SCHEMBL844826 0.86 MAP2K1 (0.37) MAP2K1CHEK2ESR1ESR2PTPN1
SCHEMBL845085 0.86 MAP2K1 (0.38) MAP2K1PTPN1PDE3BPDE3AP2RY12
SCHEMBL10076397 0.86 MAP2K1 (0.38) MAP2K1PTPN1PDE3BPDE3AP2RY12
SCHEMBL10076793 0.86 MAP2K1 (0.37) MAP2K1CHEK2ESR1ESR2PTPN1

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 21 patents — showing the first 20. 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-20240390488-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2024-11-28 US disclosed
CN-116617401-A Compositions for treating cancer using PD-1 axis binding antagonists and MEK inhibitors 豪夫迈·罗氏有限公司 2023-08-22 CN 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-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-20150265679-A1 METHOD OF REDUCING ADVERSE EFFECTS IN A CANCER PATIENT UNDREGOING TREATMENT WITH A MEK INHIBITOR THE UNITED STATES OF AMERICA, AS REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-09-24 US 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 13/4885TPH1 3893/4885TPH2 4365/4885
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 35/4885TPH1 2510/4885TPH2 2357/4885
US-10646567-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885TPH1 3893/4885TPH2 4365/4885
US-20240390488-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885TPH1 3893/4885TPH2 4365/4885
US-20150265679-A1 METHOD OF REDUCING ADVERSE EFFECTS IN A CANCER PATIENT UNDREGOING TREATMENT WITH A MEK INHIBITOR NRAS, BRAF, KRAS MAP2K1 259/4885TPH1 4496/4885TPH2 4231/4885
US-20140341902-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885TPH1 3893/4885TPH2 4365/4885
US-20170112925-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885TPH1 3893/4885TPH2 4365/4885
US-20220105180-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885TPH1 3893/4885TPH2 4365/4885

“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.