SCHEMBL4417446

SCHEMBL4417446

NC(=O)c1nc2nc(Nc3cccc(S(=O)(=O)CCO)c3)ncc2cc1-c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.40
AURKB Q96GD4 6/20 0.40
CDK1 P06493 6/20 0.40
CDK2 P24941 6/20 0.40
CDK5 Q00535 6/20 0.40
KDR P35968 6/20 0.40
DCLK1 O15075 5/20 0.40
MAP4K4 O95819 5/20 0.40
LCK P06239 5/20 0.40
FGFR1 P11362 5/20 0.40
MAPK9 P45984 5/20 0.40
GSK3A P49840 5/20 0.40
GSK3B P49841 5/20 0.40
NTRK2 Q16620 5/20 0.40
TAOK1 Q7L7X3 5/20 0.40
ALK Q9UM73 5/20 0.40
PDPK1 O15530 4/20 0.40
JAK2 O60674 4/20 0.40
ROCK2 O75116 4/20 0.40
NTRK1 P04629 4/20 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
SCHEMBL28548935 0.92 AURKA (0.41) AURKAAURKBCDK1CDK2CDK5
SCHEMBL4423148 0.89 RIPK2 (0.49) AURKAAURKBCDK1CDK2CDK5
SCHEMBL4417439 0.88 AURKA (0.39) AURKAAURKBCDK1CDK2CDK5
SCHEMBL4413220 0.86 CDK1 (0.40) AURKAAURKBCDK1CDK2CDK5
SCHEMBL4413304 0.82 IKBKB (0.49) AURKAAURKBCDK1CDK2KDR
SCHEMBL4420761 0.81 PKMYT1 (0.40) AURKAAURKBCDK1CDK2CDK5
SCHEMBL4414385 0.81 CYP2C19 (0.41) AURKAAURKBCDK1CDK2CDK5
SCHEMBL4414503 0.81 RIPK2 (0.49) AURKAAURKBCDK1CDK2CDK5
SCHEMBL4422230 0.80 PTK2 (0.44) CDK2KDRMAP4K4LCKFGFR1
SCHEMBL28562488 0.78 RIPK2 (0.47) FGFR1SRCEGFRRIPK2ACVR1

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-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP claimed
US-7163941-B2 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-01-16 US claimed
EP-1615921-A2 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP claimed
US-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (DE) 2005-06-16 US claimed
WO-2004085436-A2 PYRIDO[2,3-D]PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 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
CN-112755193-A Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof 德玛医药 2021-05-07 CN 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
EP-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP disclosed
US-7163941-B2 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-01-16 US disclosed
EP-1615921-A2 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
US-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (DE) 2005-06-16 US disclosed
WO-2004085436-A2 PYRIDO[2,3-D]PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 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 AURKA 1018/4885AURKB 664/4885CDK1 1194/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 AURKA 1514/4885AURKB 1003/4885CDK1 1293/4885
US-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents LCK, TYRO3, ABL1 AURKA 577/4885AURKB 702/4885CDK1 209/4885

“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.