SCHEMBL2166562

SCHEMBL2166562

Nc1ccc(Oc2ccnc3[nH]c(-c4ccccc4)cc23)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.47
EGFR P00533 4/20 0.44
ROCK2 O75116 4/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MAPK14 Q16539 4/20 0.42
KIT P10721 2/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
RIPK1 Q13546 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4248829 0.90 MET (0.57) METEGFRROCK2KITCYP3A4
SCHEMBL2166967 0.84 MET (0.49) METEGFRADORA2AADORA1KIT
SCHEMBL4250012 0.81 TRPA1 (0.55) METROCK2KITCYP3A4
SCHEMBL2166150 0.76 MET (0.50) METROCK2KITCDK5CDK5R1
SCHEMBL25360772 0.75 EGFR (0.40) METEGFRKIT
SCHEMBL31554522 0.75 ROCK2 (0.65) METROCK2CYP3A4
SCHEMBL31316520 0.75 EGFR (0.40) METEGFRKIT
SCHEMBL2879737 0.75 ROCK2 (0.65) METROCK2CYP3A4
SCHEMBL16376898 0.75 AXL (0.46) METROCK2MAPK14
SCHEMBL4821781 0.75 MET (0.60) METROCK2KITRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 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
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
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-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 US disclosed
US-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 US disclosed
US-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 US disclosed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 US disclosed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 US disclosed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 US disclosed
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2011-07-28 US disclosed
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2011-07-28 US disclosed
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2011-07-28 US disclosed
WO-2010044543-A2 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR 주식회사 네오팜 (KR) 2010-04-22 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 (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-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK MET 1/4885EGFR 10/4885ROCK2 616/4885
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 MET 320/4885EGFR 835/4885ROCK2 2963/4885
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 MET 320/4885EGFR 835/4885ROCK2 2963/4885
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK MET 1/4885EGFR 10/4885ROCK2 616/4885
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 MET 320/4885EGFR 835/4885ROCK2 2963/4885
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 MET 320/4885EGFR 835/4885ROCK2 2963/4885

“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.