SCHEMBL5392012

SCHEMBL5392012

Cc1cccc(Nc2n[nH]c(SCc3ccccc3F)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.50
AURKA O14965 2/20 0.46
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 3/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41
BACE1 P56817 1/20 0.41
USP2 O75604 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41

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
SCHEMBL5382812 0.89 METAP2 (0.48) METAP2AURKANPC1HPGDRAB9A
SCHEMBL5385486 0.87 METAP2 (0.65) METAP2LMNAMAPTNPC1HPGD
SCHEMBL5385443 0.87 NFKB1 (0.46) LMNAMAPTNPC1HPGDRAB9A
SCHEMBL5371943 0.85 METAP2 (0.47) METAP2MAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL5376637 0.84 METAP2 (0.46) METAP2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5377268 0.83 METAP2 (0.51) METAP2AURKAMAPTNPC1HPGD
SCHEMBL5382611 0.83 AURKA (0.44) AURKALMNAMAPTNPC1HPGD
SCHEMBL5396740 0.83 METAP2 (0.53) METAP2LMNAMAPTNPC1HPGD
SCHEMBL5380608 0.82 METAP2 (0.67) METAP2MAPTNPC1HPGDRAB9A
SCHEMBL5376821 0.82 METAP2 (0.68) METAP2AURKARAB9AALDH1A1

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 1/4885AURKA 3272/4885LMNA 4783/4885

“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.