SCHEMBL5612905

SCHEMBL5612905

c1ccc(CNc2cccc(-c3c[nH]nn3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.61
FFAR1 O14842 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
BRAF P15056 1/20 0.42
F2 P00734 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 1/20 0.41
PTPN1 P18031 2/20 0.40
PTPN11 Q06124 1/20 0.40
IP6K1 Q92551 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
SCHEMBL5612904 0.86 BRD4 (0.50) METAP2BRAFF2KDM4EHIF1A
SCHEMBL5612752 0.86 METAP2 (0.46) METAP2FFAR1ALDH1A1KDM4ENPC1
SCHEMBL5612999 0.84 BRAF (0.47) METAP2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL5612898 0.83 HPGD (0.53) METAP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5613146 0.81 PIK3CA (0.45) METAP2ALDH1A1CYP3A4MAPT
SCHEMBL6170747 0.80 CYP1A2 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6167279 0.79 FFAR1 (0.45) METAP2FFAR1CYP1A2CYP3A4CYP2C19
SCHEMBL5613128 0.79 KDM4E (0.46) METAP2ALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL15463279 0.77 METAP2 (0.62) METAP2FFAR1PTPN1PTPN11HTT
SCHEMBL1250616 0.76 ALDH1A1 (0.66) METAP2ALDH1A1MAPTNPC1RAB9A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 US claimed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US claimed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP claimed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP claimed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 WO claimed
US-20070077641-A1 Methionine aminopeptidase and methods of use PALMER LESLIE 2007-04-05 US disclosed
EP-1624849-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-15 EP disclosed
WO-2005016237-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 WO disclosed
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US disclosed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP disclosed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 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 (2 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-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents METAP1, METAP2, DNPEP METAP2 2/4885FFAR1 1561/4885ALDH1A1 1107/4885
US-20030220371-A1 Compounds and methods METAP2, METAP1, DNPEP METAP2 1/4885FFAR1 1770/4885ALDH1A1 1579/4885

“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.