SCHEMBL1018334

SCHEMBL1018334

NC(=O)C1CCN(c2nc(Cl)nc3[nH]ccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
AKT2 P31751 4/20 0.45
GSK3B P49841 3/20 0.45
HRH4 Q9H3N8 2/20 0.45
KIT P10721 2/20 0.45
PBK Q96KB5 1/20 0.45
LCK P06239 1/20 0.44
CYP3A4 P08684 1/20 0.44
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL22645626 0.81 AKT2 (0.69) AKT2GSK3BKITLCKJAK2
SCHEMBL30056647 0.81 AKT2 (0.69) AKT2GSK3BKITLCKJAK2
SCHEMBL1017284 0.79 JAK3 (0.58) AKT2GSK3BHRH4KITLCK
SCHEMBL1018704 0.77 JAK3 (0.59) AKT2GSK3BHRH4KITPIK3R1
SCHEMBL2014412 0.77 PBK (0.47) HRH4PBKJAK2JAK3
SCHEMBL1020712 0.76 JAK3 (0.49) AKT2GSK3BKITLCKJAK2
SCHEMBL1018554 0.75 PTK2 (0.50) HRH4JAK1JAK3
SCHEMBL3130856 0.75 PIK3CA (0.72) HRH4PIK3R1PIK3CAKDM4EJAK2
SCHEMBL13392108 0.73 JAK2 (0.57) JAK2JAK1JAK3
SCHEMBL1018408 0.73 SYK (0.51) JAK3

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
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
CN-103224497-A Inhibitors of protein kinases PORTOLA PHARM INC 2013-07-31 CN disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 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
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 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
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US 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
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 TSHR 2944/4885AKT2 139/4885GSK3B 247/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 TSHR 2944/4885AKT2 139/4885GSK3B 247/4885

“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.