SCHEMBL5003757

SCHEMBL5003757

NCCNCCS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
PLCG1 P19174 1/20 0.50
POLB P06746 9/20 0.44
CTDSP1 Q9GZU7 7/20 0.44
GRK2 P25098 5/20 0.44
LIG1 P18858 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
GPR35 Q9HC97 1/20 0.44
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13586189 0.81 PLCG1 (0.61) KMT2APLCG1POLBCTDSP1GRK2
Hydrochloric Acid SCHEMBL4355135 0.80 PLCG1 (0.59) KMT2APLCG1POLBCTDSP1GRK2
SCHEMBL5003755 0.79 KMT2A (0.50) KMT2APLCG1POLBCTDSP1GRK2
SCHEMBL3182581 0.76 GAA (0.55) CA2CA1MMP1MMP2MMP9
SCHEMBL3576166 0.74 PLCG1 (0.57) KMT2APLCG1POLBCTDSP1GRK2
SCHEMBL8488156 0.73 PLCG1 (0.67) KMT2APLCG1POLBCA2CA1
SCHEMBL15145875 0.73 CYP3A4 (0.70) KMT2APOLBCA2CA1MMP1
SCHEMBL4351497 0.72 KMT2A (0.61) KMT2APLCG1POLBCTDSP1GRK2
SCHEMBL10685774 0.72 KMT2A (0.53) KMT2APLCG1POLBCTDSP1GRK2
SCHEMBL5387555 0.72 PLCG1 (0.59) KMT2APLCG1POLBCTDSP1GRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 US disclosed
EP-1611105-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2006-01-04 EP disclosed
WO-2004094386-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2004-11-04 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 (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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF KMT2A 2622/4885PLCG1 973/4885POLB 525/4885

“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.