SCHEMBL4381772

SCHEMBL4381772

CC(=O)N(C)c1ccc(Nc2nc(Nc3cccc(CN)c3)c3cc[nH]c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 8/20 0.44
CFD P00746 2/20 0.44
JAK2 O60674 1/20 0.42
BRD4 O60885 1/20 0.42
LRRK2 Q5S007 1/20 0.42
IGF1R P08069 3/20 0.41
MAPK8 P45983 3/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
BTK Q06187 2/20 0.41
JAK3 P52333 1/20 0.41
NTRK1 P04629 1/20 0.40
PAK4 O96013 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
SCHEMBL1017841 0.85 BRD4 (0.47) PTK2JAK2BRD4IGF1RMAPK8
SCHEMBL14666810 0.84 BRD4 (0.46) PTK2JAK2BRD4IRAK4BTK
SCHEMBL4380216 0.81 LRRK2 (0.51) PTK2JAK2LRRK2IGF1RMAPK8
SCHEMBL12085337 0.80 PTK2 (0.50) PTK2JAK2LRRK2IGF1RMAPK8
SCHEMBL12085462 0.79 LRRK2 (0.49) PTK2JAK2LRRK2IGF1RMAPK8
SCHEMBL3279927 0.79 ROCK2 (0.43) PTK2BTKJAK3
SCHEMBL3280668 0.79 CDK1 (0.46) PTK2BTKJAK3
SCHEMBL1017389 0.79 LRRK2 (0.48) PTK2JAK2LRRK2IGF1RMAPK8
SCHEMBL1018346 0.78 LRRK2 (0.48) PTK2JAK2LRRK2IGF1RMAPK8
SCHEMBL12085362 0.77 TTBK1 (0.53) PTK2BTKJAK3

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-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
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
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 PTK2 17/4885CFD 904/4885JAK2 3/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 PTK2 17/4885CFD 904/4885JAK2 3/4885

“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.