SCHEMBL836623

SCHEMBL836623

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.67
MITF O75030 1/20 0.65
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
POLB P06746 2/20 0.59
ATM Q13315 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
SNCA P37840 1/20 0.58
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PTPN6 P29350 1/20 0.54
PTPN11 Q06124 1/20 0.54
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
BACE1 P56817 1/20 0.53

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) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL3845313 0.91 NPC1 (0.57) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL4557144 0.86 PTPN1 (0.61) PTPN1RAB9ANPC1MEN1KMT2A
SCHEMBL10684470 0.86 PTPN1 (0.88) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL25987011 0.84 ALDH1A1 (0.57) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL13692706 0.83 HDAC3 (0.53) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL20529618 0.83 MLYCD (0.70) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL836871 0.83 RAB9A (0.73) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13692707 0.83 HDAC3 (0.53) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL14072817 0.83 PTPN1 (0.65) PTPN1RAB9ANPC1MEN1KMT2A

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 PTPN1 300/4885MITF 562/4885RAB9A 2105/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 PTPN1 300/4885MITF 562/4885RAB9A 2105/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PTPN1 300/4885MITF 562/4885RAB9A 2105/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 PTPN1 218/4885MITF 1574/4885RAB9A 4284/4885

“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.