SCHEMBL5385647

SCHEMBL5385647

Cc1ccc(Nc2n[nH]c(SCc3ccc(Br)s3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.42
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.35
ADORA2A P29274 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5385659 0.88 KCNH3 (0.36) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5387637 0.88 METAP2 (0.43) METAP2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5374199 0.88 MAPT (0.43) METAP2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5385685 0.87 PIK3CA (0.39) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5380332 0.86 METAP2 (0.42) METAP2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5372169 0.82 METAP2 (0.41) METAP2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7090107 0.81 NPC1 (0.42) METAP2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5377242 0.80 METAP2 (0.65) METAP2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5384649 0.79 CDK2 (0.40) METAP2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5372105 0.79 SMN1; SMN2 (0.43) METAP2RAB9ANPC1SMN1; SMN2MAPT

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 METAP2 1/4885RAB9A 2324/4885NPC1 4364/4885

“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.