SCHEMBL1018771

SCHEMBL1018771

c1cc(-c2c[nH]c3nc(Nc4ccc5cn[nH]c5c4)nc(NC4CC4)c23)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.52
CDC7 O00311 3/20 0.48
WEE1 P30291 1/20 0.48
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
APAF1 O14727 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ULK1 O75385 2/20 0.44
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
MERTK Q12866 2/20 0.39
BUB1 O43683 1/20 0.39
ULK2 Q8IYT8 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL1073511 0.87 BUB1 (0.42) SYKCDC7WEE1CLK2BUB1
SCHEMBL12085377 0.84 SYK (0.56) SYKCDC7WEE1KDM4EMEN1
SCHEMBL1071695 0.81 SYK (0.53) SYKCDC7WEE1KDM4EMEN1
SCHEMBL1073128 0.80 SYK (0.57) SYKCDC7WEE1KDM4EMEN1
SCHEMBL1017532 0.80 SYK (0.57) SYKCDC7WEE1KDM4EMEN1
SCHEMBL12083035 0.80 SYK (0.57) SYKCDC7WEE1KDM4EMEN1
SCHEMBL1071144 0.80 SYK (0.61) SYKCDC7WEE1KDM4EMEN1
SCHEMBL1071471 0.79 ULK1 (0.47) SYKULK1CLK1CLK2MERTK
SCHEMBL20344027 0.78 IRAK4 (0.39) SYKULK1CLK1CLK2MERTK
SCHEMBL1018254 0.77 CDC7 (0.49) SYKCDC7CLK1CLK2FLT3

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 42 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-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 SYK 539/4885CDC7 1310/4885WEE1 889/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 SYK 1/4885CDC7 618/4885WEE1 655/4885

“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.