SCHEMBL2028299

SCHEMBL2028299

O=C(Nc1cc(C2CCCC2)nn1-c1ccc2ncccc2c1)OCC(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.47
KCNJ6 P48051 10/20 0.42
KCNJ5 P48544 10/20 0.42
KCNJ3 P48549 10/20 0.42
ABL1 P00519 4/20 0.42
AXL P30530 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
SRC P12931 2/20 0.41
MAPK14 Q16539 1/20 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
SCHEMBL2030579 0.98 ORAI1 (0.47) ORAI1KCNJ6KCNJ5KCNJ3ABL1
SCHEMBL27903542 0.90 ORAI1 (0.44) ORAI1KCNJ6KCNJ5KCNJ3ABL1
SCHEMBL2028880 0.82 ABL1 (0.62) ABL1AXLIRAK4SRCMAPK14
SCHEMBL2025593 0.82 ABL1 (0.47) KCNJ6KCNJ5KCNJ3ABL1AXL
SCHEMBL2025978 0.82 ABL1 (0.51) ORAI1KCNJ6KCNJ5KCNJ3ABL1
SCHEMBL2028690 0.82 ABL1 (0.49) ABL1AXLIRAK4SRCMAPK14
SCHEMBL3184425 0.82 KCNJ6 (0.57) KCNJ6KCNJ5KCNJ3IRAK4MAPK14
SCHEMBL3176505 0.81 KCNJ6 (0.56) KCNJ6KCNJ5KCNJ3IRAK4MAPK14
SCHEMBL3185420 0.78 KCNJ6 (0.56) KCNJ6KCNJ5KCNJ3IRAK4
SCHEMBL27903551 0.74 ABL1 (0.44) ABL1AXLIRAK4SRCMAPK14

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 7 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
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 ORAI1 4716/4885KCNJ6 4625/4885KCNJ5 4519/4885
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES MYLK3, MYLK, CDK3 ORAI1 4032/4885KCNJ6 699/4885KCNJ5 651/4885
US-20110136760-A1 Kinase Inhibitors Useful for the Treatment of Myleoproliferative Diseases and other Proliferative Diseases MYLK3, MYLK, CDK3 ORAI1 4032/4885KCNJ6 699/4885KCNJ5 651/4885

“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.