SCHEMBL1018511

SCHEMBL1018511

NC1CCCN(c2nc(Nc3ccc4cn[nH]c4c3)nc3[nH]ccc23)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.67
DOT1L Q8TEK3 1/20 0.51
PBK Q96KB5 1/20 0.45
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
IDH2 P48735 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
CDC7 O00311 1/20 0.41
WEE1 P30291 1/20 0.41
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
EGFR P00533 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 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
SCHEMBL1018508 1.00 PAK4 (0.67) PAK4DOT1LPBKROCK2ROCK1
SCHEMBL1069562 0.81 PAK4 (0.44) PAK4ROCK2JAK2JAK1CDC7
SCHEMBL1069560 0.81 PAK4 (0.44) PAK4ROCK2JAK2JAK1CDC7
SCHEMBL28446369 0.80 PAK4 (1.00) PAK4DOT1LPBKIDH2JAK1
SCHEMBL28446370 0.80 PAK4 (1.00) PAK4DOT1LPBKIDH2JAK1
SCHEMBL28450012 0.80 PAK4 (1.00) PAK4DOT1LPBKIDH2JAK1
SCHEMBL12085399 0.78 SYK (0.42) PAK4CDC7WEE1KDM4EMEN1
SCHEMBL1015141 0.76 PAK4 (0.59) PAK4DOT1LPBKJAK1EGFR
SCHEMBL1071377 0.75 CDC7 (0.48) PAK4ROCK2ROCK1JAK2CDC7
SCHEMBL4382956 0.74 PAK4 (0.59) PAK4DOT1LEGFRBTKSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP claimed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US claimed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO 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-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 PAK4 762/4885DOT1L 2402/4885PBK 266/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 PAK4 762/4885DOT1L 2402/4885PBK 266/4885

“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.