SCHEMBL2031867

SCHEMBL2031867

CC(C)c1cc(NC(=O)Nc2cc(Oc3ccc(CO)nc3)ccc2F)n(-c2ccc3ncccc3c2)n1.CS(=O)(=O)O

nearest known ligand 0.51

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 known ✓ P00519 5/20 0.51
BRAF known ✓ P15056 3/20 0.51
KIT known ✓ P10721 1/20 0.51
BCR known ✓ P11274 1/20 0.51
FLT1 known ✓ P17948 1/20 0.51
FLT4 known ✓ P35916 1/20 0.51
KDR known ✓ P35968 1/20 0.51
SRC P12931 8/20 0.51
MAPK14 Q16539 6/20 0.51
SYK P43405 4/20 0.51
RAF1 P04049 3/20 0.51
AXL P30530 2/20 0.51
HCK P08631 2/20 0.51
RIPK1 Q13546 2/20 0.51
PLK4 O00444 1/20 0.51
ACOX3 O15254 1/20 0.51
MAP3K7 O43318 1/20 0.51
DYRK3 O43781 1/20 0.51
JAK2 O60674 1/20 0.51
ERN1 O75460 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
SCHEMBL2030941 0.97 MAPK14 (0.53) SRCMAPK14ABL1SYKBRAF
SCHEMBL2031868 0.92 SRC (0.49) SRCMAPK14ABL1SYKBRAF
SCHEMBL5057180 0.92 SRC (0.52) SRCMAPK14ABL1SYKBRAF
SCHEMBL2029518 0.89 MAPK14 (0.55) SRCMAPK14ABL1SYKBRAF
SCHEMBL5057178 0.87 MAPK14 (0.54) SRCMAPK14ABL1SYKBRAF
SCHEMBL2027424 0.87 ABL1 (0.54) SRCMAPK14ABL1SYKBRAF
SCHEMBL30681051 0.87 ABL1 (0.66) SRCMAPK14ABL1SYKBRAF
SCHEMBL2030992 0.87 ABL1 (0.66) SRCMAPK14ABL1SYKBRAF
Hydrochloric Acid SCHEMBL2022848 0.86 ABL1 (0.65) SRCMAPK14ABL1SYKBRAF
SCHEMBL12080470 0.86 MAPK14 (0.56) SRCMAPK14ABL1SYKBRAF

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 5 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
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

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-20120225057-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES ABL1, MCL1, ABL2 ABL1 1/4885BRAF 5/4885KIT 847/4885
US-20110136760-A1 Kinase Inhibitors Useful for the Treatment of Myleoproliferative Diseases and other Proliferative Diseases MYLK3, MYLK, CDK3 ABL1 81/4885BRAF 115/4885KIT 597/4885

“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.