SCHEMBL4054036

SCHEMBL4054036

COc1cccc(-n2nc(C)cc2NC(=O)Nc2cccc(Br)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 5/20 0.61
KCNJ5 P48544 5/20 0.61
KCNJ3 P48549 5/20 0.61
TSHR P16473 1/20 0.61
MAPK14 Q16539 2/20 0.60
MAPK13 O15264 1/20 0.60
MAPK12 P53778 1/20 0.60
MAPK11 Q15759 1/20 0.60
MAPT P10636 3/20 0.59
NTRK1 P04629 5/20 0.56
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ESR1 P03372 1/20 0.50
MEN1 O00255 1/20 0.50
ADORA3 P0DMS8 1/20 0.49

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
SCHEMBL4049965 0.92 KCNJ6 (0.67) KCNJ6KCNJ5KCNJ3TSHRMAPK14
SCHEMBL4049267 0.87 MAPT (0.78) KCNJ6KCNJ5KCNJ3TSHRMAPK14
SCHEMBL2080682 0.87 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11
SCHEMBL13576978 0.86 POLB (0.63) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL4302251 0.85 KCNJ6 (0.62) KCNJ6KCNJ5KCNJ3TSHRMAPK14
SCHEMBL2082143 0.78 MAPK14 (0.79) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4050509 0.78 MAPK14 (0.90) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4051391 0.78 MAPK14 (0.77) MAPK14MAPK11MAPTNTRK1NPSR1
SCHEMBL4054049 0.78 MAPK14 (0.84) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4052118 0.77 POLB (0.69) KCNJ6KCNJ5KCNJ3TSHRMAPK14

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
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP disclosed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 KCNJ6 4281/4885KCNJ5 4370/4885KCNJ3 4438/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 KCNJ6 2415/4885KCNJ5 2659/4885KCNJ3 2494/4885

“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.