SCHEMBL174405

SCHEMBL174405

CC(C)Oc1ccc(-c2n[nH]c3ccc(NC(=O)C4CN(Cc5ccccc5)CCO4)cc23)cn1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 2/20 0.50
CLK2 P49760 2/20 0.50
CLK3 P49761 2/20 0.50
DYRK1A Q13627 2/20 0.50
MAPK1 P28482 8/20 0.49
LRRK2 Q5S007 1/20 0.49
MAPK3 P27361 3/20 0.46
GRIN2B Q13224 2/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42

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
SCHEMBL173759 0.83 MAPK1 (0.56) MAPK1MAPK3ROCK2ROCK1
SCHEMBL17144260 0.81 LRRK2 (0.57) WNT1CLK2CLK3DYRK1AMAPK1
SCHEMBL176241 0.78 MAPK1 (0.54) WNT1CLK2CLK3DYRK1AMAPK1
SCHEMBL15021338 0.77 MAPK1 (0.53) MAPK1MAPK3ROCK2ROCK1
SCHEMBL15021911 0.77 MAPK1 (0.51) CLK2MAPK1LRRK2MAPK3
SCHEMBL15021808 0.77 MAPK1 (0.51) MAPK1MAPK3
SCHEMBL173256 0.77 MAPK1 (0.53) WNT1DYRK1AMAPK1LRRK2MAPK3
SCHEMBL15021943 0.76 MAPK1 (0.53) MAPK1LRRK2MAPK3ROCK2ROCK1
SCHEMBL15021560 0.76 MAPK1 (0.51) MAPK1LRRK2MAPK3
SCHEMBL176052 0.75 MAPK1 (0.57) MAPK1MAPK3

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-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP claimed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US claimed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US claimed
US-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2023-01-03 US disclosed
CN-106659765-B Use of dianhydrogalactitol and analogs or derivatives thereof for treating non-small cell lung cancer and ovarian cancer 德玛医药 2021-08-13 CN disclosed
EP-3125920-B1 DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL OR DIBROMODULCITOL TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2020-12-23 EP disclosed
US-20190269646-A9 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2019-09-05 US disclosed
US-20180140571-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES BACHA JEFFREY (CA) 2018-05-24 US disclosed
EP-3294284-A1 COMBINATION OF ANALOGS OR DERIVATIVES OF DIANHYDROGALACTITOL WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT CANCER Delmar Pharmaceuticals, Inc. (CA) 2018-03-21 EP disclosed
EP-3125920-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER Del Mar Pharmaceuticals (CA) 2017-02-08 EP disclosed
WO-2016183331-A1 COMBINATION OF ANALOGS OR DERIVATIVES OF DIANHYDROGALACTITOL WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT CANCER DELMAR PHARMACEUTICALS, INC. (CA) 2016-11-17 WO disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
US-20160008316-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES DEL MAR PHARMACEUTICALS (CA) 2016-01-14 US disclosed
WO-2015154064-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2015-10-08 WO disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
EP-2613782-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-17 EP disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 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 (5 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-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 WNT1 1131/4885CLK2 697/4885CLK3 615/4885
US-20190269646-A9 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES DNMT1, MGMT, DCK WNT1 1941/4885CLK2 1218/4885CLK3 1501/4885
US-20180140571-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES DNMT1, MGMT, DCK WNT1 1941/4885CLK2 1218/4885CLK3 1501/4885
US-20160008316-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES DNMT1, MGMT, DCK WNT1 1941/4885CLK2 1218/4885CLK3 1501/4885
US-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DNMT1, MGMT, DCK WNT1 1941/4885CLK2 1218/4885CLK3 1501/4885

“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.