SCHEMBL17640923

SCHEMBL17640923

Cc1ccn(-c2cc(B3OC(C)(C)C(C)(C)O3)cc(N3CCOCC3)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 4/20 0.35
GAA P10253 3/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
GRM2 Q14416 1/20 0.34
HTT P42858 5/20 0.34
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
RAB9A P51151 3/20 0.32
LGMN Q99538 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL17629356 0.80 HTT (0.47) MAPTTP53MAPK1KDM4EHTT
SCHEMBL17629320 0.80 HTT (0.45) MAPTMAPK1KDM4ELMNAGRM2
SCHEMBL17640920 0.79 SMN1; SMN2 (0.41) MAPTTP53MAPK1KDM4EGAA
SCHEMBL22040425 0.76 IRAK4 (0.42) MAPTKDM4EGAAHTTALDH1A1
SCHEMBL15299275 0.76 HTT (0.49) MAPTHTTSMN1; SMN2RAB9ANPC1
SCHEMBL27032333 0.75 KDM4E (0.39) MAPTTP53MAPK1KDM4ELMNA
SCHEMBL3758794 0.75 LPL (0.40) MAPTTP53MAPK1KDM4EGAA
SCHEMBL29925545 0.75 KDM4E (0.39) MAPTTP53MAPK1KDM4ELMNA
SCHEMBL138606 0.74 LPL (0.47) MAPTTP53MAPK1KDM4ELMNA
SCHEMBL856181 0.73 LMNA (0.46) MAPTTP53MAPK1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004724-B2 Compounds alpha v beta 6 integrin antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-26 US disclosed
US-10004724-B2 Compounds alpha v beta 6 integrin antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-26 US disclosed
US-10004724-B2 Compounds alpha v beta 6 integrin antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-26 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
WO-2016046241-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-31 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 (2 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-10004724-B2 Compounds alpha v beta 6 integrin antagonists ITGAV, ITGB6, ITGB1 MAPT 4342/4885TP53 4017/4885MAPK1 887/4885
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS ITGAV, ITGB6, ITGB1 MAPT 4324/4885TP53 3976/4885MAPK1 743/4885

“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.