SCHEMBL950338

SCHEMBL950338

O=C(OCc1ccccc1)N1CC2CONC2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
CYP2C19 P33261 1/20 0.47
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
HTR2C P28335 1/20 0.45
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
P2RX4 Q99571 1/20 0.41
GRIN2B Q13224 4/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL1189222 0.83 MEN1 (0.62) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13156576 0.81 SMN1; SMN2 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3822619 0.81 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1795685 0.81 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3335937 0.81 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7682418 0.80 MEN1 (0.45) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6619236 0.80 MEN1 (0.45) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL653548 0.80 MEN1 (0.45) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL12836007 0.80 SMN1; SMN2 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3628114 0.80 SMN1; SMN2 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240494-B1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-30 EP disclosed
US-8487101-B2 Thieno-pyridine derivatives as MEK inhibitors UCB PHARMA S.A. (BE) 2013-07-16 US disclosed
US-7902371-B2 (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate ABBOTT LABORATORIES (US) 2011-03-08 US disclosed
US-7902371-B2 (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate ABBOTT LABORATORIES (US) 2011-03-08 US disclosed
US-20110021558-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2011-01-27 US disclosed
EP-2240494-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB Pharma, S.A. (BE) 2010-10-20 EP disclosed
EP-1771451-B1 (1S,5S)-3-(5,6-DICHLOROPYRIDIN-3-YL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE BENZENESULFONATE ABBOTT LAB (US) 2010-09-08 EP disclosed
US-20090198067-A1 (1S,5S)-3-(5,6-Dichloropyridin-3-YL)-3,6-Diazabicyclo[3.2.0]Heptane Benzenesulfonate ABBOTT LABORATORIES (US) 2009-08-06 US disclosed
US-20090198067-A1 (1S,5S)-3-(5,6-Dichloropyridin-3-YL)-3,6-Diazabicyclo[3.2.0]Heptane Benzenesulfonate ABBOTT LABORATORIES (US) 2009-08-06 US disclosed
WO-2009093008-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-07-30 WO disclosed
US-7498444-B2 (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate ABBOOTT LABORATORIES (US) 2009-03-03 US disclosed
US-7498444-B2 (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate ABBOOTT LABORATORIES (US) 2009-03-03 US disclosed
US-7351833-B2 (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate ABBOTT LABORATORIES (US) 2008-04-01 US disclosed
US-7351833-B2 (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate ABBOTT LABORATORIES (US) 2008-04-01 US disclosed
US-20080004448-A1 (1S,5S)-3-(5.6-DICHLOROPYRIDIN-3-YL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE BENZENESULFONATE ABBVIE INC. 2008-01-03 US disclosed
US-20080004448-A1 (1S,5S)-3-(5.6-DICHLOROPYRIDIN-3-YL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE BENZENESULFONATE ABBVIE INC. 2008-01-03 US 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 (3 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-20080004448-A1 (1S,5S)-3-(5.6-DICHLOROPYRIDIN-3-YL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE BENZENESULFONATE DHPS, HCN2, DCPS MEN1 1926/4885KMT2A 2818/4885NPSR1 1790/4885
US-20090198067-A1 (1S,5S)-3-(5,6-Dichloropyridin-3-YL)-3,6-Diazabicyclo[3.2.0]Heptane Benzenesulfonate DHPS, HCN2, DCPS MEN1 1939/4885KMT2A 2838/4885NPSR1 1737/4885
US-20110021558-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP3K6, MAPK1, MAP3K20 MEN1 1889/4885KMT2A 1436/4885NPSR1 4108/4885

“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.