SCHEMBL4079832

SCHEMBL4079832

CCOC(=N)c1ccc2[nH]nc(-c3ccc4cc(OCCC(C)C)ccc4c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.43
MAPK8 P45983 4/20 0.43
FLT3 P36888 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 7/20 0.37
MAP2K4 P45985 3/20 0.36
MAPKAPK3 Q16644 3/20 0.36
MAPK6 Q16659 3/20 0.36
MAPKAPK2 P49137 2/20 0.36
MAPKAPK5 Q8IW41 1/20 0.36
KDR P35968 1/20 0.36
ETV6 P41212 1/20 0.36
DGAT1 O75907 1/20 0.36
LRRK2 Q5S007 2/20 0.35
RXRA P19793 1/20 0.35
MAPK3 P27361 1/20 0.35

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
SCHEMBL4089601 0.86 BRAF (0.44) TTKMAPK8FLT3
SCHEMBL4043448 0.85 BTK (0.45) TTKMAPK8FLT3NPC1LMNA
Hydrochloric Acid SCHEMBL4083323 0.84 BTK (0.44) TTKMAPK8FLT3NPC1LMNA
Hydrochloric Acid SCHEMBL5397824 0.84 BTK (0.44) TTKMAPK8FLT3NPC1LMNA
SCHEMBL4039462 0.83 CLK2 (0.51) TTKMAPK8FLT3
SCHEMBL4083120 0.83 TTK (0.41) TTKMAPK8FLT3LRRK2
SCHEMBL4089678 0.83 TTK (0.45) TTKMAPK8FLT3MAPK1MAPKAPK2
SCHEMBL4079542 0.83 TTK (0.43) TTKMAPK8FLT3MAPK1MAP2K4
SCHEMBL4083929 0.83 BTK (0.43) TTKMAPK8FLT3NPC1LMNA
SCHEMBL4089635 0.83 CLK2 (0.53) MAPK8FLT3

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-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 TTK 401/4885MAPK8 213/4885FLT3 1140/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 TTK 377/4885MAPK8 201/4885FLT3 1162/4885

“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.