SCHEMBL5583940

SCHEMBL5583940

O=C(O)c1nc2nc(Nc3cccc(SCCO)c3)ncc2cc1-c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.47
FGFR1 P11362 10/20 0.47
SRC P12931 9/20 0.47
EGFR P00533 8/20 0.47
PDGFRB P09619 7/20 0.47
PDGFRA P16234 7/20 0.47
MAPK14 Q16539 7/20 0.47
FGFR2 P21802 4/20 0.47
FGFR4 P22455 4/20 0.47
FGFR3 P22607 4/20 0.47
WEE1 P30291 3/20 0.47
KIT P10721 2/20 0.47
BMPR1B O00238 1/20 0.47
STK25 O00506 1/20 0.47
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
RIPK2 O43353 1/20 0.47
JAK2 O60674 1/20 0.47
STK10 O94804 1/20 0.47
MAP4K4 O95819 1/20 0.47

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
SCHEMBL5583802 0.87 ABL1 (0.61) ABL1FGFR1SRCEGFRPDGFRB
SCHEMBL4413303 0.85 MAPK8 (0.39) ABL1FGFR1SRCEGFRPDGFRB
SCHEMBL14573081 0.85 WEE1 (0.56) ABL1FGFR1SRCEGFRPDGFRB
SCHEMBL5583903 0.82 FGFR1 (0.55) ABL1FGFR1SRCEGFRPDGFRB
SCHEMBL28562488 0.81 RIPK2 (0.47) ABL1FGFR1SRCEGFRPDGFRB
SCHEMBL5583794 0.79 EGFR (0.50) ABL1FGFR1SRCEGFRPDGFRB
SCHEMBL5583960 0.78 FGFR1 (0.48) ABL1FGFR1SRCEGFRPDGFRB
SCHEMBL5657548 0.75 FGFR1 (0.55) ABL1FGFR1SRCEGFRPDGFRB
SCHEMBL5583941 0.73 SRC (0.63) FGFR1SRCEGFRPDGFRBPDGFRA
SCHEMBL5583963 0.73 SRC (0.66) ABL1FGFR1SRCPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007529451-A 2007-10-25 JP claimed
US-7189732-B2 Pyrido[2,3-d]pyrimidine dichloro-phenyl derivatives HOFFMAN-LA ROCHE INC. (US) 2007-03-13 US claimed
EP-1727819-A1 NOVEL DICHLORO-PHENYL-PYRIDO¬2,3-D|PYRIMIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-12-06 EP claimed
US-20060014765-A1 Dichloro-phenyl derivatives HOFFMANN-LA ROCHE INC. 2006-01-19 US claimed
WO-2005090344-A1 NOVEL DICHLORO-PHENYL-PYRIDO [2,3-D] PYRIMIDINE DERIVATES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 WO claimed
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-08-19 US disclosed
EP-2872161-B1 DIANHYDROGALACTITOL FOR USE IN TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS DEL MAR PHARMACEUTICALS (CA) 2020-12-16 EP disclosed
US-20150182490-A1 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2015-07-02 US disclosed
EP-2872161-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF Del Mar Pharmaceuticals (CA) 2015-05-20 EP disclosed
WO-2014004376-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (CA) 2014-01-03 WO disclosed
US-7189732-B2 Pyrido[2,3-d]pyrimidine dichloro-phenyl derivatives HOFFMAN-LA ROCHE INC. (US) 2007-03-13 US disclosed
EP-1727819-A1 NOVEL DICHLORO-PHENYL-PYRIDO¬2,3-D|PYRIMIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-12-06 EP disclosed
US-20060014765-A1 Dichloro-phenyl derivatives HOFFMANN-LA ROCHE INC. 2006-01-19 US disclosed
WO-2005090344-A1 NOVEL DICHLORO-PHENYL-PYRIDO [2,3-D] PYRIMIDINE DERIVATES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 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 (3 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-20150182490-A1 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF WHR1, AIPL1, TDP1 ABL1 698/4885FGFR1 482/4885SRC 1484/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 ABL1 746/4885FGFR1 358/4885SRC 1586/4885
US-20060014765-A1 Dichloro-phenyl derivatives SRC, ABL1, LCK ABL1 2/4885FGFR1 145/4885SRC 1/4885

“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.