SCHEMBL6480396

SCHEMBL6480396

COc1ccc(NC(=O)c2ccc3[nH]c(-c4cc[nH]n4)cc3c2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
F10 P00742 1/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AHR P35869 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 4/20 0.41
ITK Q08881 1/20 0.41
DHODH Q02127 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
APP P05067 1/20 0.40
PRNP P04156 1/20 0.40

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
SCHEMBL6489347 0.92 ITK (0.44) MEN1KMT2AF10POLBRAB9A
SCHEMBL5755038 0.86 RAB9A (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6490354 0.80 ALDH1A1 (0.44) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL5759216 0.79 ITK (0.51) ITK
SCHEMBL5753664 0.78 RAB9A (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6480600 0.77 CHEK1 (0.43) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL5757708 0.77 JAK2 (0.49) POLBRAB9ANPC1LMNASMN1; SMN2
SCHEMBL5755558 0.77 HDAC6 (0.48) KDM4EALDH1A1ITKHSD17B10GAA
SCHEMBL6489406 0.76 NHERF1 (0.50) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL5755542 0.76 RIPK1 (0.44) MEN1KMT2ARAB9ANPC1ALDH1A1

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 MEN1 2784/4885KMT2A 1158/4885F10 3883/4885

“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.