SCHEMBL4226640

SCHEMBL4226640

CC(C)(C)c1cc(NC(=O)Nc2ccc3c(c2)OCO3)n(-c2ccc3c(c2)CNCC3)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.51
ABL1 P00519 1/20 0.49
MAPK13 O15264 8/20 0.48
PTK2B Q14289 1/20 0.47
PTK2 Q05397 5/20 0.47
MAPK12 P53778 7/20 0.47
MAPK11 Q15759 7/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
SRC P12931 1/20 0.46
SYK P43405 1/20 0.46
GSK3A P49840 1/20 0.46
MAPK9 P45984 1/20 0.45
DDR2 Q16832 1/20 0.45

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
SCHEMBL2079913 0.85 MAPK14 (0.63) MAPK14ABL1MAPK13PTK2MAPK12
SCHEMBL4235776 0.85 MAPK14 (0.49) MAPK14MAPK13PTK2BPTK2MAPK12
SCHEMBL2083431 0.82 MAP3K7 (0.54) MAPK14ABL1MAPK13MAPK12MAPK11
SCHEMBL2617032 0.82 MAPK14 (0.66) MAPK14ABL1MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL2082177 0.81 MAPK14 (0.64) MAPK14ABL1MAPK13MAPK12MAPK11
SCHEMBL2082097 0.79 MAP3K7 (0.62) MAPK14MAPK13MAPK12MAPK11SRC
SCHEMBL4224867 0.78 NPC1 (0.60) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL2081461 0.78 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL2083762 0.78 ABL1 (0.61) MAPK14ABL1MAPK13MAPK12MAPK11
SCHEMBL2080852 0.78 MAP3K7 (0.54) MAPK14ABL1MAPK13MAPK12MAPK11

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 MAPK14 80/4885ABL1 2/4885MAPK13 183/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 MAPK14 29/4885ABL1 174/4885MAPK13 41/4885

“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.