SCHEMBL2030652

SCHEMBL2030652

CNC(=O)c1ccc(Oc2ccc(F)c(N)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
KDR P35968 3/20 0.44
CDK8 P49336 6/20 0.43
BRAF P15056 4/20 0.41
HDAC1 Q13547 2/20 0.41
CSF1R P07333 1/20 0.41
SCN9A Q15858 1/20 0.41
PIP5K1C O60331 1/20 0.40
PIK3CA P42336 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
CCNC P24863 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
RAF1 P04049 1/20 0.40
EPHX2 P34913 1/20 0.40
BACE1 P56817 3/20 0.40

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
SCHEMBL6387865 0.85 KDR (0.61) KDRCDK8BRAFCSF1RCCNC
SCHEMBL30078261 0.85 KDR (0.61) KDRCDK8BRAFCSF1RCCNC
SCHEMBL2029669 0.84 P4HTM (0.44) CDK8
SCHEMBL12355382 0.81 HRH3 (0.50) HRH3KDRCDK8BRAFHDAC1
SCHEMBL28933370 0.80 HRH3 (0.47) HRH3KDRCDK8BRAFHDAC1
SCHEMBL29394398 0.80 HRH3 (0.47) HRH3KDRCDK8BRAFHDAC1
SCHEMBL8737471 0.76 MMP13 (0.61) HRH3KDRCDK8BRAFCCNC
SCHEMBL12020790 0.76 LYN (0.52) HRH3KDRCDK8
SCHEMBL14024790 0.75 PIK3CA (0.70) HRH3BRAFCSF1RSCN9APIP5K1C
SCHEMBL2025524 0.75 FFAR4 (0.44) CDK8

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 HRH3 2127/4885KDR 1898/4885CDK8 569/4885
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES MYLK3, MYLK, CDK3 HRH3 4005/4885KDR 2394/4885CDK8 57/4885
US-20110136760-A1 Kinase Inhibitors Useful for the Treatment of Myleoproliferative Diseases and other Proliferative Diseases MYLK3, MYLK, CDK3 HRH3 4005/4885KDR 2394/4885CDK8 57/4885

“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.