SCHEMBL1019328

SCHEMBL1019328

CC(=O)N1CCN(c2ccc(Nc3nc(N(C)C4CCNCC4)c4c(-c5ccncc5)c[nH]c4n3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.48
BTK Q06187 11/20 0.48
JAK3 P52333 10/20 0.48
EGFR P00533 9/20 0.48
FLT3 P36888 3/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
BLK P51451 1/20 0.43
MAP4K1 Q92918 1/20 0.41
SYK P43405 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
SCHEMBL27930624 0.92 ITK (0.47) ITKBTKJAK3EGFRFLT3
SCHEMBL20336236 0.86 SYK (0.43) ITKBTKJAK3EGFRFLT3
SCHEMBL1018816 0.85 FLT3 (0.47) ITKBTKJAK3EGFRFLT3
SCHEMBL4383008 0.83 SYK (0.53) ITKBTKJAK3EGFRFLT3
SCHEMBL1016370 0.82 SYK (0.55) ITKBTKJAK3EGFRFLT3
SCHEMBL1016016 0.81 ITK (0.56) ITKBTKJAK3EGFRFLT3
SCHEMBL20336237 0.78 SYK (0.48) ITKBTKJAK3EGFRFLT3
SCHEMBL735717 0.75 SYK (0.67) SYK
SCHEMBL27930621 0.73 SYK (0.57) ITKBTKJAK3EGFRFLT3
SCHEMBL14666818 0.73 SYK (0.64) ITKBTKJAK3EGFRSYK

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-B1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARM INC (US) 2018-07-04 EP claimed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US claimed
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
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US 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 ITK 54/4885BTK 2/4885JAK3 6/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 ITK 54/4885BTK 2/4885JAK3 6/4885

“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.