Sugi Predict

Sugi Predict / Compounds / SCHEMBL3530599

SCHEMBL3530599

SCHEMBL3530599

Cc1cnc(C(=O)Nc2ccc(C)c(-c3nc(NC(CO)CO)nc4c3ccc(=O)n4-c3c(F)cccc3F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ RAF1 P04049 4/20 0.41
▸ BRAF P15056 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ BACE1 P56817 7/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ BACE2 Q9Y5Z0 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
Trifluoroacetic Acid SCHEMBL2719490 0.96 RAF1 (0.41) SMN1; SMN2NPC1RAB9ARAF1BRAF
SCHEMBL2719495 0.92 RAF1 (0.38) SMN1; SMN2NPC1RAB9ARAF1BRAF
SCHEMBL3533709 0.91 RAF1 (0.39) RAF1BRAFLMNABACE1TP53
SCHEMBL3529883 0.89 RAF1 (0.39) SMN1; SMN2NPC1RAB9ARAF1BRAF
SCHEMBL3528200 0.88 RAF1 (0.40) SMN1; SMN2NPC1RAB9ARAF1BRAF
SCHEMBL3532753 0.88 RAF1 (0.41) SMN1; SMN2RAB9ARAF1BRAFTDP1
Trifluoroacetic Acid SCHEMBL2719042 0.87 RAF1 (0.39) RAF1BRAF
SCHEMBL3526785 0.87 RAF1 (0.46) SMN1; SMN2NPC1RAB9ARAF1BRAF
SCHEMBL3531127 0.87 RAF1 (0.46) NPC1RAB9ARAF1BRAFTP53
SCHEMBL14303230 0.87 RAF1 (0.38) SMN1; SMN2NPC1RAB9ARAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678801-B2 3-(8-(2,6-Difluorophenyl)-2-{[2-(methylamino)ethyl]amino}-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl)-4-methyl-N-1,3-thiazol-2-ylbenzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2010-03-16 — — US claimed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 — — US claimed
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-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-20100144755-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-06-10 — — US disclosed
US-20100144755-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-06-10 — — US disclosed
US-7678801-B2 3-(8-(2,6-Difluorophenyl)-2-{[2-(methylamino)ethyl]amino}-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl)-4-methyl-N-1,3-thiazol-2-ylbenzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2010-03-16 — — US disclosed
US-7678801-B2 3-(8-(2,6-Difluorophenyl)-2-{[2-(methylamino)ethyl]amino}-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl)-4-methyl-N-1,3-thiazol-2-ylbenzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2010-03-16 — — US disclosed
US-20090156597-A1 Novel Compounds GLAXO GROUP LIMITED 2009-06-18 — — US disclosed
US-20090156597-A1 Novel Compounds GLAXO GROUP LIMITED 2009-06-18 — — US disclosed
US-20090069318-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-03-12 — — US disclosed
US-20090069318-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-03-12 — — US disclosed
WO-2007147103-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 — — 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-20100144755-A1 Novel Compounds MAPKAPK2, CDC42BPB, MAPK8 SMN1; SMN2 2895/4885NPC1 2139/4885RAB9A 1333/4885
US-20090156597-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 SMN1; SMN2 2941/4885NPC1 1885/4885RAB9A 1248/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 SMN1; SMN2 2895/4885NPC1 2139/4885RAB9A 1333/4885
US-20090069318-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 SMN1; SMN2 2941/4885NPC1 1885/4885RAB9A 1248/4885

“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.