SCHEMBL4413304

SCHEMBL4413304

NC(=O)c1nc2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2cc1-c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.49
CA2 P00918 8/20 0.46
CA1 P00915 5/20 0.46
CA9 Q16790 5/20 0.46
CA4 P22748 3/20 0.46
CDK1 P06493 3/20 0.46
CDK2 P24941 3/20 0.46
CDK7 P50613 3/20 0.46
CDK9 P50750 3/20 0.46
CCNT1 O60563 2/20 0.46
CCNH P51946 2/20 0.46
CCNB1 P14635 2/20 0.46
SYK P43405 2/20 0.46
CA12 O43570 2/20 0.46
PTK2 Q05397 1/20 0.44
PIK3CD O00329 1/20 0.43
AURKA O14965 1/20 0.43
DCLK1 O15075 1/20 0.43
PIK3C2G O75747 1/20 0.43
PIK3CG P48736 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
SCHEMBL4423148 0.86 RIPK2 (0.49) CDK1CDK2CDK9SYKPTK2
SCHEMBL4417446 0.82 AURKA (0.40) CDK1CDK2CDK9CCNT1CCNB1
SCHEMBL4413320 0.82 IGF1R (0.52) CDK2SYKAURKACDK4
SCHEMBL14600274 0.81 GSK3B (0.48) CDK2AURKACDK4CCND1
SCHEMBL4420761 0.80 PKMYT1 (0.40) CDK1CDK2CDK9SYKPTK2
SCHEMBL4422230 0.80 PTK2 (0.44) CDK2SYKPTK2LRRK2KDR
SCHEMBL4412949 0.79 IKBKB (0.45) IKBKBCA2CA9CDK1CDK2
SCHEMBL4424187 0.79 FGFR1 (0.54) SYKPTK2LRRK2AURKBCDK4
SCHEMBL4412021 0.79 MAPK10 (0.40) CDK2CDK9CCNT1PTK2AURKA
SCHEMBL4412967 0.79 GSK3B (0.44) CDK2CDK9AURKAAURKB

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 IKBKB 3196/4885CA2 4329/4885CA1 3131/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 IKBKB 3233/4885CA2 4402/4885CA1 3124/4885
US-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents LCK, TYRO3, ABL1 IKBKB 553/4885CA2 1949/4885CA1 4770/4885

“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.