SCHEMBL836871

SCHEMBL836871

C#Cc1ccc(NC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.73
NPC1 O15118 11/20 0.73
SMN1; SMN2 Q16637 6/20 0.62
MAPT P10636 3/20 0.62
KDM4E B2RXH2 2/20 0.54
NAMPT P43490 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
MCL1 Q07820 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
P4HTM Q9NXG6 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL4312329 0.91 NPC1 (0.57) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL3845313 0.91 NPC1 (0.57) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL4557144 0.86 PTPN1 (0.61) RAB9ANPC1SMN1; SMN2MEN1LMNA
SCHEMBL822378 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL15214321 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL12310125 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL14580374 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL27181403 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL13400496 0.85 MEN1 (0.58) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL11059466 0.83 NPC1 (0.73) RAB9ANPC1SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099757-B1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN INC (US) 2014-06-25 EP disclosed
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
WO-2010078393-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-08 WO disclosed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 RAB9A 2105/4885NPC1 4757/4885SMN1; SMN2 4781/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 RAB9A 2105/4885NPC1 4757/4885SMN1; SMN2 4781/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 RAB9A 2105/4885NPC1 4757/4885SMN1; SMN2 4781/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 RAB9A 4284/4885NPC1 4883/4885SMN1; SMN2 4303/4885

“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.