SCHEMBL1839657

SCHEMBL1839657

C=CCNc1ccnc(NCC=C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
DNM2 P50570 2/20 0.42
HCAR3 P49019 1/20 0.41
HRH4 Q9H3N8 2/20 0.41
KMT2A Q03164 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 1/20 0.39
FGFR1 P11362 2/20 0.38
INSR P06213 1/20 0.38
IGF1R P08069 1/20 0.38
KDR P35968 1/20 0.38
SUMO3 P55854 1/20 0.38
SUMO2 P61956 1/20 0.38
SUMO1 P63165 1/20 0.38
CHEK1 O14757 1/20 0.37

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
SCHEMBL3320381 0.84 KMT2A (0.46) SLC2A1KMT2AMAPK13MAPK12MAPK11
SCHEMBL3316097 0.80 MAPK13 (0.41) SLC2A1HCAR3KMT2AMAPK13MAPK12
SCHEMBL10866005 0.80 KMT2A (0.39) SLC2A1HCAR3KMT2AMAPK13MAPK12
SCHEMBL3263843 0.80 HRH4 (0.65) SLC2A1HRH4
SCHEMBL31366117 0.79 SUMO3 (0.39) SLC2A1HCAR3KMT2AMAPK13MAPK12
SCHEMBL2163151 0.76 ALDH1A1 (0.54) SLC2A1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL369672 0.74 MAPT (0.44) HCAR3KMT2AMAPTMAPK1ALDH1A1
SCHEMBL7174094 0.74 SLC2A1 (0.46) SLC2A1HCAR3KMT2AMAPTMAPK1
SCHEMBL24741365 0.73 MAPK13 (0.37) SLC2A1KMT2AMAPK13MAPK12MAPK11
SCHEMBL3345160 0.72 HCAR3 (0.46) SLC2A1HCAR3HRH4KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7722893-B2 Use of substitute 2,4-bis (alkylamino) pyrimidines or quinzolines as antimicrobials CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US claimed
US-20090269379-A1 Material Having Antibacterial and Antifungal Properties CIBA CORP. 2009-10-29 US claimed
EP-1648524-B1 USE OF SUBSTITUTED 2,4-BIS (ALKYLAMINO) PYRIMIDINES OR -QUINAZOLINES AS ANTIMICROBIALS CIBA HOLDING INC (CH) 2009-01-14 EP claimed
EP-1934277-A1 MATERIAL HAVING ANTIBACTERIAL AND ANTIFUNGAL PROPERTIES Ciba Holding Inc. (CH) 2008-06-25 EP claimed
WO-2008046746-A2 ACARICIDAL SYNTHETIC MATERIALS AND ARTICLES MADE THEREFROM CIBA HOLDING INC. (CH) 2008-04-24 WO claimed
WO-2007042416-A1 MATERIAL HAVING ANTIBACTERIAL AND ANTIFUNGAL PROPERTIES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-04-19 WO claimed
US-20060188453-A1 Use of substitute 2,4-bis (alkylamino)pyrimidines CIBA SPECIALTY CHEMICALS CORP. 2006-08-24 US claimed
EP-1648524-A2 USE OF SUBSTITUTED 2,4-BIS (ALKYLAMINO) PYRIMIDINES OR -QUINAZOLINES AS ANTIMICROBIALS Ciba SC Holding AG (CH) 2006-04-26 EP claimed
WO-2005011758-A2 USE OF SUBSTITUTED 2,4-BIS (ALKYLAMINO) PYRIMIDINES OR -QUINAZOLINES AS ANTIMICROBIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-02-10 WO claimed
US-20110150961-A1 ANTI-INFECTIVE CATHETERS ANGIOTECH INTERNATIONAL AG (CH) 2011-06-23 US disclosed
EP-2315528-A2 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS BASF SE (DE) 2011-05-04 EP disclosed
EP-2254640-A2 ANTI-INFECTIVE CATHETERS ANGIOTECH INTERNATIONAL AG (CH) 2010-12-01 EP disclosed
US-7722893-B2 Use of substitute 2,4-bis (alkylamino) pyrimidines or quinzolines as antimicrobials CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-7722893-B2 Use of substitute 2,4-bis (alkylamino) pyrimidines or quinzolines as antimicrobials CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-20060188453-A1 Use of substitute 2,4-bis (alkylamino)pyrimidines CIBA SPECIALTY CHEMICALS CORP. 2006-08-24 US disclosed
EP-1648524-A2 USE OF SUBSTITUTED 2,4-BIS (ALKYLAMINO) PYRIMIDINES OR -QUINAZOLINES AS ANTIMICROBIALS Ciba SC Holding AG (CH) 2006-04-26 EP disclosed
EP-1648524-A2 USE OF SUBSTITUTED 2,4-BIS (ALKYLAMINO) PYRIMIDINES OR -QUINAZOLINES AS ANTIMICROBIALS Ciba SC Holding AG (CH) 2006-04-26 EP disclosed
WO-2005011758-A3 USE OF SUBSTITUTED 2,4-BIS (ALKYLAMINO) PYRIMIDINES OR -QUINAZOLINES AS ANTIMICROBIALS CIBA SC HOLDING AG (CH) 2005-04-28 WO disclosed
WO-2005011758-A2 USE OF SUBSTITUTED 2,4-BIS (ALKYLAMINO) PYRIMIDINES OR -QUINAZOLINES AS ANTIMICROBIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-02-10 WO disclosed
WO-2005011758-A2 USE OF SUBSTITUTED 2,4-BIS (ALKYLAMINO) PYRIMIDINES OR -QUINAZOLINES AS ANTIMICROBIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-02-10 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 (3 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-20110150961-A1 ANTI-INFECTIVE CATHETERS NACA, PUF60, POLR1C SLC2A1 3200/4885DNM2 4391/4885HCAR3 1071/4885
US-20090269379-A1 Material Having Antibacterial and Antifungal Properties POLR1C, NISCH, HSPH1 SLC2A1 3247/4885DNM2 4417/4885HCAR3 676/4885
US-20060188453-A1 Use of substitute 2,4-bis (alkylamino)pyrimidines PYM1, C1R, POLR1C SLC2A1 2744/4885DNM2 1127/4885HCAR3 86/4885

“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.