SCHEMBL8738490

SCHEMBL8738490

CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc4cccnc34)n2)s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.77
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
MAPT P10636 4/20 0.67
LMNA P02545 3/20 0.67
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 3/20 0.67
RAB9A P51151 2/20 0.67
HTT P42858 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NPC1 O15118 1/20 0.67
MMP9 P14780 1/20 0.66
POLB P06746 2/20 0.62
MITF O75030 1/20 0.60
USP2 O75604 1/20 0.59
GAA P10253 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
GFER P55789 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL6121233 0.88 PIK3CG (0.80) PIK3CGMEN1KMT2AMAPTLMNA
SCHEMBL4523307 0.87 PIK3CG (1.00) PIK3CGMEN1KMT2AMAPTLMNA
SCHEMBL4522794 0.87 PIK3CG (0.78) PIK3CGMEN1KMT2AMAPTLMNA
Bromide SCHEMBL6114101 0.87 PIK3CG (0.78) PIK3CGMEN1KMT2AMAPTLMNA
SCHEMBL4526456 0.86 PIK3CG (0.74) PIK3CGMEN1KMT2AMAPTLMNA
SCHEMBL8737792 0.85 PIK3CG (0.75) PIK3CGMEN1KMT2AMAPTLMNA
SCHEMBL8738344 0.85 MMP9 (0.73) PIK3CGMEN1KMT2AMAPTLMNA
SCHEMBL8737788 0.84 TRPV4 (0.66) MEN1KMT2AMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6114271 0.84 MMP9 (0.71) PIK3CGMEN1KMT2AMAPTLMNA
SCHEMBL4524394 0.83 ALDH1A1 (0.78) PIK3CGMEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 PIK3CG 4850/4885MEN1 2298/4885KMT2A 2435/4885

“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.