SCHEMBL2718345

SCHEMBL2718345

CCN(CC)CCCNc1nc(-c2ccc(C(=O)O)cc2)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.38
SCN9A Q15858 1/20 0.36
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
CHRNA7 P36544 2/20 0.35
KCNH2 Q12809 2/20 0.35
METAP2 P50579 1/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC2A1 P11166 1/20 0.35
MEN1 O00255 1/20 0.35
CSNK2A1 P68400 1/20 0.34
TOP2A P11388 1/20 0.34
RAD52 P43351 1/20 0.34
SMARCA2 P51531 1/20 0.34
UHRF1 Q96T88 1/20 0.34

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
SCHEMBL2719441 0.92 EGFR (0.36) MERTKEGFRFGFR1SRCFGFR2
SCHEMBL2718699 0.91 KDM4E (0.39) MERTKPOLBKMT2AMEN1RAD52
SCHEMBL2721407 0.90 HRH3 (0.42) MERTKSCN9AEGFRFGFR1SRC
SCHEMBL2719318 0.89 MERTK (0.39) MERTKCHRNA7KCNH2HPGD
SCHEMBL2720051 0.89 MERTK (0.46) MERTKCHRNA7KCNH2POLBKMT2A
SCHEMBL2721635 0.88 MAPK14 (0.38) EGFRFGFR1SRCFGFR2FGFR4
SCHEMBL2720777 0.87 FGFR1 (0.37) EGFRFGFR1SRCFGFR2FGFR4
SCHEMBL2721262 0.86 EGFR (0.36) SCN9AEGFRFGFR1SRCFGFR2
SCHEMBL2721537 0.85 ADORA2A (0.44) MERTKPOLBKMT2AMEN1ALDH1A1
SCHEMBL15015049 0.85 EGFR (0.40) EGFRFGFR1SRCFGFR2FGFR4

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2447266-B1 Pyrimidopyridine compound used as a CSBP/RK/p38 modulator GLAXO GROUP LTD (GB) 2013-06-12 EP disclosed
US-8354416-B2 3-[2-{[3-(diethylamino)propyl]amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-N-(1-methylethyl)benzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 US disclosed
US-8354416-B2 3-[2-{[3-(diethylamino)propyl]amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-N-(1-methylethyl)benzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 US disclosed
US-8354416-B2 3-[2-{[3-(diethylamino)propyl]amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-N-(1-methylethyl)benzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 US disclosed
EP-1868611-B1 8-PHENYL-7,8-DIHYDROPYRIDO[2,3-d]PYRIMIDIN-7-ONES GLAXO GROUP LTD (GB) 2012-11-14 EP disclosed
US-8207176-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8207176-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8207176-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
EP-2447266-A1 Pyrimidopyridine compound used as a CSBP/RK/p38 modulator GLAXO GROUP LIMITED (GB) 2012-05-02 EP disclosed
US-20100144755-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
WO-2006104915-A9 8-PHENYL-7,8-DIHYDROPYRIDO[2,3-d]PYRIMIDIN-7-ONES AND THEIR USE AS PHARMACEUTICALS GLAXO GROUP LTD (GB) 2008-01-03 WO disclosed
EP-1868611-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2007147104-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
WO-2007147103-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2006-11-16 US disclosed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
WO-2006104915-A2 8-PHENYL-7,8-DIHYDROPYRIDO[2,3-d]PYRIMIDIN-7-ONES AND THEIR USE AS PHARMACEUTICALS GLAXO GROUP LIMITED (GB) 2006-10-05 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 (4 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-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives CBR3, CBR1, CYP2S1 MERTK 3454/4885SCN9A 3193/4885EGFR 1404/4885
US-20100144755-A1 Novel Compounds MAPKAPK2, CDC42BPB, MAPK8 MERTK 2367/4885SCN9A 4209/4885EGFR 1714/4885
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives CYP2S1, CYP2F1, CBR3 MERTK 3076/4885SCN9A 3053/4885EGFR 2201/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 MERTK 2367/4885SCN9A 4209/4885EGFR 1714/4885

“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.