SCHEMBL2946995

SCHEMBL2946995

Cc1cc(Br)nc(N)c1N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
NOS3 P29474 5/20 0.38
NOS2 P35228 5/20 0.38
TERT O14746 1/20 0.37
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
NOS1 P29475 4/20 0.33
UHRF1 Q96T88 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NQO1 P15559 1/20 0.31
HTR6 P50406 1/20 0.31
IDO1 P14902 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL3249990 0.81 ALDH1A1 (0.40) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL30570049 0.81 ALDH1A1 (0.40) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL21261372 0.81 TDP1 (0.40) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL24616240 0.77 TERT (0.34) CYP3A4TSHRNOS3NOS2TERT
SCHEMBL29986172 0.77 TERT (0.34) CYP3A4TSHRNOS3NOS2TERT
SCHEMBL24568278 0.77 KDM4E (0.45) CYP3A4TSHRALDH1A1TP53NOS3
SCHEMBL3208148 0.77 CYP3A4 (0.37) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL31409391 0.77 TERT (0.39) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL31206751 0.77 CYP3A4 (0.37) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL2955353 0.75 TDP1 (0.43) CYP3A4TSHRALDH1A1TDP1TP53

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1576093-A4 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS INC (US) 2009-07-08 EP claimed
CN-101084235-A 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS INC (US) 2007-12-05 CN claimed
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US claimed
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 EP claimed
EP-1576093-A2 3-DEOXYGLUCOSONE AND SKIN Dynamis Therapeutics, Inc. (US) 2005-09-21 EP claimed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 WO claimed
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. 2005-07-21 US claimed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US claimed
WO-2003089601-A2 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS, INC. (US) 2003-10-30 WO claimed
CN-101084235-B 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS INC 2012-10-17 CN disclosed
US-20100310482-A1 3-Deoxyglucosone And Skin DYNAMIS THERAPEUTICS, INC. (US) 2010-12-09 US disclosed
US-7749503-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2010-07-06 US disclosed
US-7671019-B2 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. (US) 2010-03-02 US disclosed
US-7622117-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 WO disclosed
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. 2005-07-21 US disclosed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003089601-A2 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS, INC. (US) 2003-10-30 WO disclosed
WO-1993013775-A1 DIAMINOPYRIDINE COMPOUNDS FOR THE INHIBITION OF PROTEIN GLYCOSYLATION THE ROCKEFELLER UNIVERSITY (US) 1993-07-22 WO disclosed
US-5221683-A Inhibiting advanced clycosylation of target protein THE ROCKEFELLER UNIVERSITY (US) 1993-06-22 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 (4 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-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin FN3K, PDXK, COLGALT1 CYP3A4 4738/4885TSHR 4155/4885ALDH1A1 927/4885
US-20100310482-A1 3-Deoxyglucosone And Skin DPM1, G6PD, UGGT1 CYP3A4 2484/4885TSHR 4805/4885ALDH1A1 383/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 CYP3A4 2484/4885TSHR 4805/4885ALDH1A1 383/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE CYP3A4 1705/4885TSHR 4627/4885ALDH1A1 357/4885

“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.