SCHEMBL5378910

SCHEMBL5378910

CC(C)c1ccc(CSc2nc(Nc3ccccc3)n[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
METAP2 P50579 7/20 0.45
METAP1 P53582 1/20 0.45
TOP2A P11388 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
NFKB1 P19838 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5382906 0.87 METAP2 (0.57) GAAGFERMETAP2METAP1MEN1
SCHEMBL5376519 0.86 METAP2 (0.55) GAAGFERMETAP2METAP1MEN1
SCHEMBL5396887 0.82 KCNH3 (0.54) GAAGFERMETAP2METAP1MEN1
SCHEMBL5371964 0.81 METAP2 (0.62) GAAGFERMETAP2METAP1MEN1
SCHEMBL5377101 0.81 METAP2 (0.62) GAAGFERMETAP2METAP1MEN1
SCHEMBL5442192 0.81 ALDH1A1 (0.54) GAAGFERMETAP2METAP1CYP1A2
SCHEMBL5372054 0.81 MAOB (0.50) GAAGFERMETAP2METAP1TOP2A
SCHEMBL5376453 0.81 TSHR (0.53) GAAGFERMETAP2METAP1RAB9A
SCHEMBL5392006 0.80 JAK2 (0.49) GAAGFERMETAP2METAP1MEN1
SCHEMBL5381737 0.80 MAPT (0.48) GAAGFERMETAP2METAP1CYP1A2

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 GAA 2089/4885GFER 4149/4885METAP2 1/4885

“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.