SCHEMBL369262

SCHEMBL369262

Cn1ccnc1CN(Cc1nccn1C)Cc1nccn1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
FDPS P14324 1/20 0.44
CXCR4 P61073 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LPO P22079 1/20 0.43
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MLYCD O95822 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
SCHEMBL12087626 0.91 TSHR (0.43) TSHRFDPSCXCR4MEN1KMT2A
SCHEMBL28993653 0.85 TSHR (0.40) TSHRFDPSCXCR4MEN1KMT2A
SCHEMBL16213758 0.84 LMNA (0.51) TSHRFDPSCXCR4MEN1KMT2A
SCHEMBL8264017 0.84 TSHR (0.44) TSHRFDPSCXCR4MEN1KMT2A
SCHEMBL13210024 0.83 TSHR (0.42) TSHRFDPSCXCR4MEN1KMT2A
SCHEMBL12087470 0.83 CXCR4 (0.46) TSHRFDPSCXCR4MEN1KMT2A
SCHEMBL12087478 0.83 CYP3A4 (0.39) TSHRFDPSCXCR4MEN1KMT2A
SCHEMBL13785302 0.83 CXCR4 (0.64) TSHRFDPSCXCR4MEN1KMT2A
SCHEMBL1628456 0.83 MAPT (0.54) TSHRCXCR4MEN1KMT2ALMNA
SCHEMBL1627995 0.83 MAPT (0.54) TSHRCXCR4MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951695-B2 Redox fuel cell with catholyte redox mediator ACAL ENERGY LIMITED (GB) 2015-02-10 US disclosed
US-8951695-B2 Redox fuel cell with catholyte redox mediator ACAL ENERGY LIMITED (GB) 2015-02-10 US disclosed
EP-2238641-B1 REDOX FUEL CELLS ACAL ENERGY LTD (GB) 2012-09-05 EP disclosed
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
US-8048982-B2 Method for producing aromatic compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-01 US disclosed
US-20110091746-A1 FUEL CELLS ACAL ENERGY LIMITED (GB) 2011-04-21 US disclosed
US-20110091746-A1 FUEL CELLS ACAL ENERGY LIMITED (GB) 2011-04-21 US disclosed
EP-2241548-A1 Vanadium di-nuclear complex Sumitomo Chemical Company, Limited (JP) 2010-10-20 EP disclosed
EP-2241547-A1 Method for producing aromatic compound polymer Sumitomo Chemical Company, Limited (JP) 2010-10-20 EP disclosed
WO-2009093080-A1 FUEL CELLS ACAL ENERGY LIMITED (GB) 2009-07-30 WO disclosed
US-20090018309-A1 Method for Producing Aromatic Compound Polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-15 US disclosed
EP-1767560-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER Sumitomo Chemical Company, Limited (JP) 2007-03-28 EP disclosed
EP-1114836-B1 PROCESS FOR PRODUCING A RESIN COMPOSITION NAT INST OF ADVANCED IND SCIEN (JP) 2006-11-08 EP disclosed
US-6344516-B1 TRANSITION METAL COMPLEX CATALYST, OXIDATATIVE POLYMERIZATION OF PHENOL-CONTAINING VEGETABLE OIL NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-02-05 US disclosed
EP-1114836-A1 RESIN COMPOSITION AND PROCESS FOR PRODUCING THE SAME Japan as represented by Secretary of Agency of Industrial Science and Technology (JP) 2001-07-11 EP 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-20090018309-A1 Method for Producing Aromatic Compound Polymer PAH, MAOA, AHR TSHR 3657/4885FDPS 875/4885CXCR4 2980/4885
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER PAH, MAOA, AHR TSHR 3727/4885FDPS 876/4885CXCR4 3016/4885

“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.