SCHEMBL1018254

SCHEMBL1018254

NC(=O)c1ccc(Nc2nc(NC3CC3)c3c(-c4ccncc4)c[nH]c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.49
ROCK2 O75116 2/20 0.49
MAP4K4 O95819 2/20 0.49
PIM1 P11309 2/20 0.49
PRKACA P17612 2/20 0.49
CDK2 P24941 2/20 0.49
GSK3B P49841 2/20 0.49
HIPK2 Q9H2X6 2/20 0.49
CLK4 Q9HAZ1 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
KIT P10721 2/20 0.48
FLT3 P36888 2/20 0.48
SYK P43405 15/20 0.48
CLK2 P49760 2/20 0.48
CLK1 P49759 1/20 0.48
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
MAPK13 O15264 1/20 0.46
PDPK1 O15530 1/20 0.46
DAPK3 O43293 1/20 0.46

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
SCHEMBL1018262 0.83 SYK (0.53) MAP4K4PRKACAGSK3BCLK4IRAK4
SCHEMBL1016370 0.81 SYK (0.55) CDK2FLT3SYKCDK1
SCHEMBL1018103 0.80 CHUK (0.55) IRAK4KITFLT3SYK
SCHEMBL27930621 0.79 SYK (0.57) FLT3SYKCHEK1FLT4RPS6KA3
SCHEMBL20344027 0.78 IRAK4 (0.39) IRAK4SYKCLK2CLK1
SCHEMBL1018771 0.77 SYK (0.52) CDC7FLT3SYKCLK2CLK1
SCHEMBL1071471 0.77 ULK1 (0.47) SYKCLK2CLK1
SCHEMBL1016371 0.76 ITK (0.48) SYK
SCHEMBL12085318 0.75 LRRK2 (0.64) IRAK4KITFLT3SYKLRRK2
SCHEMBL27930635 0.75 CLK1 (0.38) IRAK4KITFLT3CLK2CLK1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103224497-A Inhibitors of protein kinases PORTOLA PHARM INC 2013-07-31 CN 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-9795607-B2 Substituted pyrrolopyrimidine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-10-24 US disclosed
US-9795607-B2 Substituted pyrrolopyrimidine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-10-24 US disclosed
EP-3202403-A1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2017-08-09 EP disclosed
US-20170173024-A1 METHODS OF TREATING A CANCER USING SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF SIGNAL PHARM LLC (US) 2017-06-22 US disclosed
US-20170173024-A1 METHODS OF TREATING A CANCER USING SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF SIGNAL PHARM LLC (US) 2017-06-22 US disclosed
US-9623028-B2 Methods of treating a cancer using substituted pyrrolopyrimidine compounds, compositions thereof SIGNAL PHARMACEUTICALS, LLC (US) 2017-04-18 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-20170173024-A1 METHODS OF TREATING A CANCER USING SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF VHL, DPYD, TP53 CDC7 1310/4885ROCK2 2894/4885MAP4K4 3183/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 CDC7 618/4885ROCK2 238/4885MAP4K4 407/4885

“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.