SCHEMBL5385685

SCHEMBL5385685

Cc1cccc(Nc2n[nH]c(SCc3ccc(Br)s3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
NFKB1 P19838 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RECQL P46063 1/20 0.38
AURKA O14965 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CDK2 P24941 2/20 0.36
SRC P12931 1/20 0.36
ZAP70 P43403 1/20 0.36
SYK P43405 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SLC2A1 P11166 1/20 0.36
GRM4 Q14833 1/20 0.36
NOD1 Q9Y239 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
SCHEMBL5377014 0.89 NFKB1 (0.40) PIK3CAPIK3CGNFKB1MEN1KMT2A
SCHEMBL5372059 0.87 NFKB1 (0.44) PIK3CAPIK3CGNFKB1MEN1KMT2A
SCHEMBL5385647 0.87 METAP2 (0.42) NFKB1MEN1KMT2ANPC1RAB9A
SCHEMBL5374199 0.87 MAPT (0.43) NFKB1MEN1KMT2ANPC1RAB9A
SCHEMBL5379154 0.83 METAP2 (0.50) NFKB1MEN1KMT2ARECQLAURKA
SCHEMBL7089497 0.82 PIK3CA (0.42) PIK3CAPIK3CGNFKB1MEN1KMT2A
SCHEMBL5372169 0.81 METAP2 (0.41) NFKB1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5385659 0.80 KCNH3 (0.36) MEN1KMT2AAURKANPC1RAB9A
SCHEMBL5376637 0.80 METAP2 (0.46) NFKB1MEN1KMT2ARECQLNPC1
SCHEMBL5376887 0.78 SOS1 (0.48) PIK3CAPIK3CGNFKB1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP PIK3CA 1631/4885PIK3CG 2186/4885NFKB1 3393/4885

“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.