SCHEMBL1016370

SCHEMBL1016370

CC(=O)N1CCN(c2ccc(Nc3nc(NC4CC4)c4c(-c5ccncc5)c[nH]c4n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.55
BTK Q06187 10/20 0.52
JAK3 P52333 9/20 0.52
ITK Q08881 7/20 0.52
EGFR P00533 5/20 0.52
FLT3 P36888 2/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51

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
SCHEMBL27930621 0.91 SYK (0.57) SYKBTKJAK3ITKEGFR
SCHEMBL1016016 0.91 ITK (0.56) SYKBTKJAK3ITKEGFR
SCHEMBL4383008 0.86 SYK (0.53) SYKBTKJAK3ITKEGFR
SCHEMBL1016371 0.85 ITK (0.48) SYKBTKJAK3ITKEGFR
SCHEMBL1018569 0.83 TTK (0.57) SYKBTKJAK3FLT3CDK1
SCHEMBL12085286 0.82 BTK (0.61) SYKBTKJAK3ITKEGFR
SCHEMBL1018262 0.82 SYK (0.53) SYKBTKJAK3FLT3
SCHEMBL1019328 0.82 ITK (0.48) SYKBTKJAK3ITKEGFR
SCHEMBL14666818 0.82 SYK (0.64) SYKBTKJAK3ITKEGFR
SCHEMBL27912552 0.81 ITK (0.53) SYKBTKJAK3ITKEGFR

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 40 patents — showing the first 20. 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-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
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-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
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 SYK 539/4885BTK 1001/4885JAK3 1080/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 SYK 1/4885BTK 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.