SCHEMBL1019065

SCHEMBL1019065

CN(C(=O)COc1ccccc1)c1ccc(N)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.65
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
PPIB P23284 2/20 0.51
KMT2A Q03164 5/20 0.51
MAPK1 P28482 3/20 0.51
HTT P42858 2/20 0.51
NTSR1 P30989 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NOD2 Q9HC29 1/20 0.51
ALOX15 P16050 1/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5696786 0.89 MLYCD (0.69) MLYCDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1016036 0.80 ALDH1A1 (0.61) MLYCDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL25942822 0.80 MLYCD (0.59) MLYCDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL25942908 0.80 MLYCD (0.59) MLYCDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1019064 0.79 PPIB (0.52) MLYCDSMN1; SMN2RAB9APPIBKMT2A
SCHEMBL3941842 0.79 PPIB (0.52) MLYCDSMN1; SMN2PPIBKMT2AMAPK1
SCHEMBL16201504 0.78 NPC1 (0.59) MLYCDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL8320409 0.77 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AMAPK1KDM4E
SCHEMBL3632818 0.77 SMN1; SMN2 (0.86) MLYCDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9327118 0.77 MLYCD (0.55) MLYCDSMN1; SMN2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 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 (2 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 MLYCD 3491/4885SMN1; SMN2 4561/4885NPC1 2993/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 MLYCD 3491/4885SMN1; SMN2 4561/4885NPC1 2993/4885

“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.