SCHEMBL4382944

SCHEMBL4382944

CC(=O)N1CCN(c2ccc(Nc3nc(N4CCC[C@H](N)C4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.59
JAK3 P52333 7/20 0.55
BTK Q06187 5/20 0.55
EGFR P00533 1/20 0.49
DOT1L Q8TEK3 1/20 0.48
SYK P43405 5/20 0.47
TTK P33981 4/20 0.47

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
SCHEMBL4382956 1.00 PAK4 (0.59) PAK4JAK3BTKEGFRDOT1L
SCHEMBL28806763 0.91 PAK4 (0.57) PAK4JAK3BTKEGFRDOT1L
SCHEMBL1015669 0.90 JAK3 (0.53) PAK4JAK3BTKEGFRSYK
SCHEMBL1019450 0.88 JAK3 (0.55) JAK3BTKEGFRSYKTTK
SCHEMBL1017585 0.87 JAK3 (0.54) JAK3BTKEGFRSYKTTK
SCHEMBL4383672 0.87 JAK3 (0.52) JAK3BTKEGFRSYKTTK
SCHEMBL4383660 0.87 JAK3 (0.52) JAK3BTKEGFRSYKTTK
SCHEMBL1018408 0.84 SYK (0.51) JAK3BTKEGFRSYKTTK
SCHEMBL1015141 0.84 PAK4 (0.59) PAK4JAK3BTKEGFRDOT1L
SCHEMBL1019395 0.83 EGFR (0.50) JAK3BTKEGFRSYKTTK

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 15 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-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-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
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 PAK4 762/4885JAK3 6/4885BTK 2/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 PAK4 762/4885JAK3 6/4885BTK 2/4885

“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.