SCHEMBL1019119

SCHEMBL1019119

Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCCNC4)nc(Nc4ccc(C(N)=O)cc4)nc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.45
SYK P43405 10/20 0.43
MAPK3 P27361 2/20 0.42
MAPK1 P28482 2/20 0.42
KCNH2 Q12809 2/20 0.42
AURKB Q96GD4 2/20 0.42
CDK2 P24941 2/20 0.42
MAPKAPK2 P49137 1/20 0.42
PTK2 Q05397 2/20 0.40
NTRK1 P04629 1/20 0.40
CHEK1 O14757 2/20 0.40
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39

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
SCHEMBL1020916 0.91 SYK (0.43) SYKCDK2PDGFRAFLT3IKBKB
Hydrochloric Acid SCHEMBL22496844 0.82 JAK3 (0.48) BTKSYKMAPK3MAPK1KCNH2
Hydrochloric Acid SCHEMBL22496928 0.82 JAK3 (0.48) BTKSYKMAPK3MAPK1KCNH2
SCHEMBL4764792 0.81 CA1 (0.40) SYKKCNH2CDK2PTK2PDGFRA
SCHEMBL1019080 0.80 SYK (0.40) SYKCDK2PDGFRAFLT3
SCHEMBL14547920 0.78 SYK (0.47) BTKSYK
SCHEMBL4843165 0.77 LRRK2 (0.54) BTKSYKAURKBPTK2NTRK1
SCHEMBL17545830 0.77 RPS6KB1 (0.44) AURKBCHEK1
SCHEMBL6128887 0.77 RPS6KB1 (0.44) AURKBCHEK1
SCHEMBL3279464 0.75 PDGFRB (0.45) SYKMAPK1CDK2PDGFRAFLT3

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-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
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
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 BTK 2/4885SYK 1/4885MAPK3 243/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 BTK 2/4885SYK 1/4885MAPK3 243/4885

“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.