SCHEMBL5371827

SCHEMBL5371827

Cc1ccccc1Nc1n[nH]c(SCc2ccccn2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 12/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2E1 P05181 2/20 0.46
CYP2C8 P10632 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2B6 P20813 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 2/20 0.46
GLA P06280 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL5382902 0.86 LMNA (0.48) METAP2KDM4ECYP1A2CYP2C9CYP2E1
SCHEMBL5372428 0.85 CYP1A2 (0.54) METAP2KDM4ECYP1A2CYP2C9CYP2E1
SCHEMBL5372044 0.85 NPC1 (0.54) METAP2KDM4ECYP1A2CYP2C9CYP2E1
SCHEMBL5371990 0.85 KDM4E (0.45) METAP2KDM4ECYP1A2CYP2C9CYP2E1
SCHEMBL5385739 0.84 METAP2 (0.62) METAP2NPSR1HTT
SCHEMBL5387236 0.84 METAP2 (0.62) METAP2LMNANPSR1ALDH1A1MAPT
SCHEMBL5380676 0.83 METAP2 (0.64) METAP2NPSR1HTTMAPT
SCHEMBL5384772 0.83 METAP2 (0.66) METAP2KDM4ECYP1A2CYP2C9CYP2E1
SCHEMBL5384850 0.82 METAP2 (0.66) METAP2KDM4ELMNANPSR1ALDH1A1
SCHEMBL5376901 0.82 METAP2 (0.66) METAP2LMNANPSR1HTTMAPT

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 1/4885KDM4E 1401/4885CYP1A2 1491/4885

“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.