SCHEMBL6489347

SCHEMBL6489347

COc1ccc(NC(=O)c2ccc3cc(-c4cc[nH]n4)[nH]c3c2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
F10 P00742 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
AHR P35869 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.41
DGAT1 O75907 1/20 0.41
DHODH Q02127 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
PLAU P00749 1/20 0.39

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
SCHEMBL6480396 0.92 MEN1 (0.46) ITKMEN1KMT2APOLBF10
SCHEMBL5753664 0.86 RAB9A (0.54) ITKMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6490354 0.80 ALDH1A1 (0.44) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL5755010 0.79 ITK (0.62) ITK
SCHEMBL5755038 0.78 RAB9A (0.54) ITKMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5754385 0.77 ITK (0.53) ITKMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5754383 0.77 ROCK2 (0.52) ITKHSD17B10
SCHEMBL6488486 0.76 ITK (0.48) ITKMAPTTP53
SCHEMBL5756552 0.76 ITK (0.51) ITK
SCHEMBL6491253 0.75 ITK (0.50) ITKMEN1KMT2ASMN1; SMN2HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 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 (1 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 ITK 392/4885MEN1 2784/4885KMT2A 1158/4885

“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.