SCHEMBL844826

SCHEMBL844826

COc1ccc(C[C@@H](c2nc3cc(I)ccc3[nH]2)N2C(=O)NC(c3ccc(OCCO)cc3)C2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.37
PTPN1 P18031 4/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
DRD3 P35462 3/20 0.33
CHEK2 O96017 3/20 0.33
CSF1R P07333 2/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
P2RY12 Q9H244 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DRD2 P14416 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
SCHEMBL10076793 1.00 MAP2K1 (0.37) MAP2K1PTPN1ROCK2ROCK1DRD3
SCHEMBL859794 1.00 MAP2K1 (0.37) MAP2K1PTPN1ROCK2ROCK1DRD3
SCHEMBL843993 1.00 MAP2K1 (0.37) MAP2K1PTPN1ROCK2ROCK1DRD3
SCHEMBL10076397 0.92 MAP2K1 (0.38) MAP2K1PTPN1ROCK2ROCK1PDE3B
SCHEMBL844695 0.92 MAP2K1 (0.38) MAP2K1PTPN1ROCK2ROCK1PDE3B
SCHEMBL845085 0.92 MAP2K1 (0.38) MAP2K1PTPN1ROCK2ROCK1PDE3B
SCHEMBL844360 0.92 MAP2K1 (0.41) MAP2K1CHEK2PDE3BPDE3AP2RY12
SCHEMBL844361 0.92 MAP2K1 (0.41) MAP2K1CHEK2PDE3BPDE3AP2RY12
SCHEMBL4023862 0.88 MAP2K1 (0.38) MAP2K1CHEK2PDE3BPDE3AP2RY12
SCHEMBL844406 0.86 MAP2K1 (0.41) MAP2K1PTPN1CHEK2PDE3BPDE3A

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-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-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
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 (6 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-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 35/4885PTPN1 672/4885ROCK2 167/4885
US-10646567-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885PTPN1 427/4885ROCK2 409/4885
US-20180021431-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885PTPN1 427/4885ROCK2 409/4885
US-20240390488-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885PTPN1 427/4885ROCK2 409/4885
US-20140341902-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885PTPN1 427/4885ROCK2 409/4885
US-20220105180-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 MAP2K1 13/4885PTPN1 427/4885ROCK2 409/4885

“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.