SCHEMBL176052

SCHEMBL176052

O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CN(Cc2ccccn2)CCO1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.57
MAPK3 P27361 1/20 0.49
MAP2K2 P36507 1/20 0.49
MAP2K1 Q02750 1/20 0.49
MAPK6 Q16659 1/20 0.49
TTK P33981 1/20 0.43

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 0.89 MAPK1 (0.56) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021916 0.88 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL176131 0.86 MAPK1 (0.57) MAPK1
SCHEMBL173727 0.86 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL173729 0.86 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021769 0.85 MAPK1 (0.57) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL176241 0.85 MAPK1 (0.54) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL173256 0.85 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021780 0.85 MAPK1 (0.51) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021943 0.85 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6

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 23 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
EP-2613782-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-17 EP claimed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US claimed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 WO 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
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
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US 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
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 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 (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 MAPK1 2/4885MAPK3 1/4885MAP2K2 58/4885
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 MAPK1 1617/4885MAPK3 1507/4885MAP2K2 234/4885
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 MAPK1 1617/4885MAPK3 1507/4885MAP2K2 234/4885
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 MAPK1 1617/4885MAPK3 1507/4885MAP2K2 234/4885
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 MAPK1 1617/4885MAPK3 1507/4885MAP2K2 234/4885

“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.