SCHEMBL836015

SCHEMBL836015

C#Cc1cccc(NC(=O)c2ccccc2C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.63
KCNK9 Q9NPC2 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 1/20 0.62
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
POLB P06746 4/20 0.59
P2RX1 P51575 1/20 0.59
RXFP1 Q9HBX9 2/20 0.58
F2R P25116 2/20 0.58
TP53 P04637 1/20 0.56
THRB P10828 1/20 0.56
PKM P14618 1/20 0.55
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TYK2 P29597 1/20 0.52

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
SCHEMBL13400490 0.86 KMT2A (0.57) KCNK3KCNK9SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2894248 0.86 HTT (0.72) KCNK3KCNK9SMN1; SMN2ALDH1A1HPGD
SCHEMBL11668137 0.85 KCNK3 (0.84) KCNK3KCNK9SMN1; SMN2ALDH1A1HPGD
SCHEMBL12099694 0.84 P2RX1 (0.71) SMN1; SMN2HPGDKMT2AMEN1RAB9A
SCHEMBL13927148 0.84 HTT (0.74) KCNK3KCNK9ALDH1A1KMT2AMEN1
SCHEMBL836637 0.84 HPGD (0.68) KCNK3KCNK9SMN1; SMN2ALDH1A1HPGD
SCHEMBL13023055 0.82 MEN1 (0.63) KCNK3KCNK9SMN1; SMN2ALDH1A1KMT2A
SCHEMBL533767 0.80 KCNK3 (0.81) KCNK3KCNK9SMN1; SMN2ALDH1A1HPGD
SCHEMBL13927048 0.79 MEN1 (0.63) KCNK3KCNK9ALDH1A1KMT2AMEN1
SCHEMBL10352150 0.79 MEN1 (0.63) KCNK3KCNK9ALDH1A1KMT2AMEN1

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
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
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 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
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 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 KCNK3 1769/4885KCNK9 2468/4885SMN1; SMN2 4781/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KCNK3 1769/4885KCNK9 2468/4885SMN1; SMN2 4781/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KCNK3 1769/4885KCNK9 2468/4885SMN1; SMN2 4781/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KCNK3 2395/4885KCNK9 4034/4885SMN1; 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.