SCHEMBL5382902

SCHEMBL5382902

CCc1ccccc1Nc1n[nH]c(SCc2ccccn2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
GLA P06280 1/20 0.48
KDM4E B2RXH2 1/20 0.46
METAP2 P50579 6/20 0.44
CYP1A2 P05177 5/20 0.43
CYP2C9 P11712 5/20 0.43
CYP2E1 P05181 4/20 0.43
CYP2C8 P10632 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2B6 P20813 4/20 0.43
CYP2C19 P33261 4/20 0.43
PTK2 Q05397 1/20 0.43
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
RET P07949 1/20 0.42
CCNB1 P14635 1/20 0.42

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
SCHEMBL5371827 0.86 METAP2 (0.48) LMNAGLAKDM4EMETAP2CYP1A2
SCHEMBL5371807 0.84 RAB9A (0.45) METAP2ALDH1A1CCNB2CDK1RET
SCHEMBL5393592 0.83 METAP2 (0.52) LMNAMETAP2ALDH1A1MAPTGAA
SCHEMBL5372044 0.83 NPC1 (0.54) LMNAKDM4EMETAP2CYP1A2CYP2C9
SCHEMBL5371990 0.83 KDM4E (0.45) LMNAGLAKDM4EMETAP2CYP1A2
SCHEMBL5380594 0.82 HPGD (0.46) LMNAALDH1A1MAPTL3MBTL1GAA
SCHEMBL5376464 0.82 METAP2 (0.50) LMNAKDM4EMETAP2ALDH1A1GAA
SCHEMBL5376475 0.81 METAP2 (0.53) LMNAGLAMETAP2ALDH1A1MAPT
SCHEMBL5382925 0.81 P2RX7 (0.44) LMNAALDH1A1MAPTCCNB2CDK1
SCHEMBL5381685 0.81 METAP2 (0.52) METAP2ALDH1A1MAPTGAA

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 5 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
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP disclosed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO 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 LMNA 4783/4885GLA 3780/4885KDM4E 1401/4885

“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.