SCHEMBL1069395

SCHEMBL1069395

NCC1CCN(c2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 13/20 0.51
PTK2 Q05397 4/20 0.47
SYK P43405 2/20 0.46
PTK2B Q14289 4/20 0.44
NUAK1 O60285 1/20 0.41
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CDK7 P50613 1/20 0.40

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
SCHEMBL1015170 0.90 ULK1 (0.53) ULK1PTK2SYKPTK2BNUAK1
SCHEMBL1071926 0.89 ULK1 (0.50) ULK1PTK2SYKPTK2BNUAK1
SCHEMBL1071702 0.86 ULK1 (0.47) ULK1PTK2SYKPTK2BNUAK1
SCHEMBL1070941 0.81 ULK1 (0.53) ULK1PTK2SYKPTK2BCDK1
SCHEMBL3710022 0.80 SYK (0.49) ULK1PTK2SYK
SCHEMBL1017516 0.78 ULK1 (0.51) ULK1PTK2SYKPTK2B
SCHEMBL4305660 0.77 ULK1 (0.51) ULK1PTK2SYKPTK2B
SCHEMBL6453026 0.77 STK4 (0.51) SYKCDK1CCNB1CDK7
SCHEMBL12085355 0.76 ULK1 (0.50) ULK1PTK2SYKPTK2BNUAK1
SCHEMBL17547567 0.76 ULK1 (0.64) ULK1PTK2SYKPTK2BCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US claimed
EP-2271631-B1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARM INC (US) 2018-07-04 EP 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
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

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 ULK1 892/4885PTK2 17/4885SYK 1/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 ULK1 892/4885PTK2 17/4885SYK 1/4885

“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.