SCHEMBL835070

SCHEMBL835070

C#Cc1cccc(NC(=O)c2sccc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.55
RAB9A P51151 8/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 2/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 3/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
P2RX1 P51575 1/20 0.49
GRM1 Q13255 1/20 0.47
PPARG P37231 1/20 0.47
NCOR2 Q9Y618 1/20 0.47

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
SCHEMBL31415283 0.80 KMT2A (0.63) NAMPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL30300673 0.78 RAB9A (0.65) NAMPTRAB9AALDH1A1PKMNPC1
SCHEMBL1389175 0.78 PKM (0.74) NAMPTRAB9AALDH1A1PKMNPC1
SCHEMBL834778 0.78 SMN1; SMN2 (0.65) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL836015 0.77 KCNK3 (0.63) RAB9AALDH1A1PKMNPC1SMN1; SMN2
SCHEMBL13400494 0.76 HDAC3 (0.55) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL22627078 0.75 MEN1 (0.61) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL17818378 0.75 NPC1 (0.56) NAMPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL13400497 0.75 KCNK3 (0.56) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL1025225 0.75 MEN1 (0.56) RAB9AALDH1A1NPC1MEN1KMT2A

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 NAMPT 2777/4885RAB9A 2105/4885ALDH1A1 2605/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 NAMPT 2777/4885RAB9A 2105/4885ALDH1A1 2605/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 NAMPT 2777/4885RAB9A 2105/4885ALDH1A1 2605/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 NAMPT 1183/4885RAB9A 4284/4885ALDH1A1 2320/4885

“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.