SCHEMBL10274645

SCHEMBL10274645

C=C1OB(c2cc(NC(=O)c3ccsc3)ccc2C)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAPK14 Q16539 7/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
HPGD P15428 1/20 0.41
LCK P06239 2/20 0.35
HDAC1 Q13547 1/20 0.34
AXL P30530 1/20 0.34
GRM4 Q14833 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL2719282 0.85 KMT2A (0.54) KMT2AMAPK14NPC1RAB9AKCNK3
SCHEMBL13596551 0.82 KCNQ3 (0.46) KMT2ANPC1RAB9AHDAC1
SCHEMBL13969806 0.79 TP53 (0.45) KMT2ANPC1RAB9A
SCHEMBL14345216 0.77 ABL1 (0.43) KMT2AMAPK14NPC1RAB9AHPGD
SCHEMBL13907634 0.75 RAB9A (0.54) KMT2ANPC1RAB9AHPGD
SCHEMBL10227043 0.73 KMT2A (0.67) KMT2AMAPK14NPC1RAB9AKCNK3
SCHEMBL13973650 0.73 TSHR (0.36) KMT2ANPC1RAB9A
SCHEMBL10264645 0.71 MAPK14 (0.42) KMT2AMAPK14NPC1RAB9ALCK
SCHEMBL10274170 0.70 MAPK14 (0.46) KMT2AMAPK14LCK
SCHEMBL2718631 0.70 KMT2A (0.63) KMT2AMAPK14NPC1RAB9AKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100144755-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100093765-A1 NOVEL COMPOUNDS CALLAHAN JAMES F 2010-04-15 US disclosed
US-20100093766-A1 NOVEL COMPOUNDS CALLAHAN JAMES F 2010-04-15 US disclosed
US-7674789-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US disclosed
US-20090318424-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-24 US disclosed
US-20090239846-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-09-24 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 KMT2A 2863/4885MAPK14 35/4885NPC1 2139/4885
US-20100093766-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB KMT2A 2825/4885MAPK14 46/4885NPC1 1584/4885
US-20090239846-A1 Novel Compounds MAPKAPK2, MAPKAPK3, CDC42BPB KMT2A 2825/4885MAPK14 46/4885NPC1 1584/4885
US-20100093765-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB KMT2A 2825/4885MAPK14 46/4885NPC1 1584/4885
US-20090156597-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 KMT2A 2325/4885MAPK14 43/4885NPC1 1885/4885
US-20090069318-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 KMT2A 2325/4885MAPK14 43/4885NPC1 1885/4885
US-20090318424-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB KMT2A 2825/4885MAPK14 46/4885NPC1 1584/4885

“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.