SCHEMBL2028017

SCHEMBL2028017

CC(C)(C)c1cc(C(=O)O)n(-c2ccc3ncccc3c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.62
SORT1 Q99523 4/20 0.62
ABL1 P00519 5/20 0.56
AXL P30530 2/20 0.56
SRC P12931 3/20 0.53
PTK2 Q05397 2/20 0.47
PTK2B Q14289 2/20 0.47
EPHB4 P54760 2/20 0.47
MAPK11 Q15759 3/20 0.46
MAPK14 Q16539 3/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
PLK4 O00444 1/20 0.46
ACOX3 O15254 1/20 0.46
MAP3K7 O43318 1/20 0.46
DYRK3 O43781 1/20 0.46
JAK2 O60674 1/20 0.46
ERN1 O75460 1/20 0.46
RPS6KA4 O75676 1/20 0.46
STK10 O94804 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
SCHEMBL2024393 0.85 ABL1 (0.53) GRNSORT1ABL1AXLSRC
SCHEMBL1521770 0.81 ABL1 (0.53) ABL1AXLSRCPTK2PTK2B
SCHEMBL2083392 0.81 GRN (0.59) GRNSORT1ABL1AXLSRC
SCHEMBL30904919 0.80 ABL1 (0.52) ABL1AXLSRCPTK2PTK2B
SCHEMBL29186401 0.80 ABL1 (0.52) ABL1AXLSRCPTK2PTK2B
SCHEMBL2025827 0.80 GRN (0.57) GRNSORT1ABL1AXLSRC
SCHEMBL28708290 0.80 ABL1 (0.55) GRNSORT1ABL1AXLSRC
SCHEMBL2028916 0.79 ALDH1A1 (0.62) ABL1AXLSRCPTK2PTK2B
SCHEMBL2083920 0.79 ABL1 (0.80) ABL1AXLSRCPTK2PTK2B
SCHEMBL28700821 0.78 ABL1 (0.67) ABL1AXLSRCPTK2PTK2B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2073811-B1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS LLC (US) 2015-03-11 EP disclosed
US-8586565-B2 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2013-11-19 US disclosed
WO-2013036232-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2013-03-14 WO disclosed
US-20120225057-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-09-06 US disclosed
US-20110136760-A1 Kinase Inhibitors Useful for the Treatment of Myleoproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-06-09 US disclosed
US-7790756-B2 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2010-09-07 US disclosed
EP-2073811-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-07-01 EP disclosed
WO-2008046003-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 WO disclosed
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 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 (3 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-20120225057-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES ABL1, MCL1, ABL2 GRN 1743/4885SORT1 3912/4885ABL1 1/4885
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES MYLK3, MYLK, CDK3 GRN 3478/4885SORT1 4656/4885ABL1 81/4885
US-20110136760-A1 Kinase Inhibitors Useful for the Treatment of Myleoproliferative Diseases and other Proliferative Diseases MYLK3, MYLK, CDK3 GRN 3478/4885SORT1 4656/4885ABL1 81/4885

“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.