SCHEMBL6489406

SCHEMBL6489406

O=C(Nc1ccccc1CO)c1ccc2[nH]c(-c3cc[nH]n3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 2/20 0.50
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
ITK Q08881 2/20 0.39
HDAC2 Q92769 4/20 0.39
SLC16A3 O15427 1/20 0.38
ADAM17 P78536 2/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BLM P54132 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL6488486 0.92 ITK (0.48) NHERF1TP53MAPTITKSLC16A3
SCHEMBL5757708 0.83 JAK2 (0.49) TP53MAPTITKJAK2JAK1
SCHEMBL5755623 0.80 ITK (0.55) ITKNR1H4
SCHEMBL6490316 0.80 NHERF1 (0.47) NHERF1TP53MAPTSLC16A3NPC1
SCHEMBL5759216 0.78 ITK (0.51) ITKHDAC6
SCHEMBL5755542 0.77 RIPK1 (0.44) ITKMMP13HDAC6NPC1RAB9A
SCHEMBL5755525 0.77 KDM4E (0.49) MAPTITKHDAC2HDAC6LMNA
SCHEMBL6480396 0.76 MEN1 (0.46) TP53MAPTITKLMNAPOLB
SCHEMBL5755558 0.76 HDAC6 (0.48) ITKHDAC6
SCHEMBL5753964 0.76 KDM4E (0.46) MAPTITKHDAC2HDAC6LMNA

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 NHERF1 3673/4885TP53 317/4885MAPT 1668/4885

“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.